3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide

C155H143ClFN31O12 — CID 159783045

IUPAC3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N(C)CCN(C)C)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NC4CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc(Cl)c4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc(F)c4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc5ccccc45)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccccc4C)c3)n2)cc1
InChIInChI=1S/C30H25N5O2.C27H25N5O2.C26H22ClN5O2.C26H22FN5O2.C24H28N6O2.C22H21N5O2/c1-20(36)33-25-14-12-22(13-15-25)28-16-17-31-30(35-28)34-26-10-5-8-23(18-26)29(37)32-19-24-9-4-7-21-6-2-3-11-27(21)24;1-18-6-3-4-7-22(18)17-29-26(34)21-8-5-9-24(16-21)31-27-28-15-14-25(32-27)20-10-12-23(13-11-20)30-19(2)33;2*1-17(33)30-22-10-8-19(9-11-22)24-12-13-28-26(32-24)31-23-7-3-5-20(15-23)25(34)29-16-18-4-2-6-21(27)14-18;1-17(31)26-20-10-8-18(9-11-20)22-12-13-25-24(28-22)27-21-7-5-6-19(16-21)23(32)30(4)15-14-29(2)3;1-14(28)24-17-7-5-15(6-8-17)20-11-12-23-22(27-20)26-19-4-2-3-16(13-19)21(29)25-18-9-10-18/h2-18H,19H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);3-16H,17H2,1-2H3,(H,29,34)(H,30,33)(H,28,31,32);2*2-15H,16H2,1H3,(H,29,34)(H,30,33)(H,28,31,32);5-13,16H,14-15H2,1-4H3,(H,26,31)(H,25,27,28);2-8,11-13,18H,9-10H2,1H3,(H,24,28)(H,25,29)(H,23,26,27)
InChIKeyNHPKOSGAGJSJML-UHFFFAOYSA-N
MW2686.50 g/mol
LogP28.57
Rot. Bonds42

About 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide

3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide (PubChem CID 159783045) has the molecular formula C155H143ClFN31O12 and a molecular weight of 2686.50 g/mol. Its IUPAC name is 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide
PubChem CID159783045
Molecular FormulaC155H143ClFN31O12
Molecular Weight2686.50 g/mol
Exact Mass2684.12
IUPAC Name3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N(C)CCN(C)C)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NC4CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc(Cl)c4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc(F)c4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc5ccccc45)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccccc4C)c3)n2)cc1
InChIInChI=1S/C30H25N5O2.C27H25N5O2.C26H22ClN5O2.C26H22FN5O2.C24H28N6O2.C22H21N5O2/c1-20(36)33-25-14-12-22(13-15-25)28-16-17-31-30(35-28)34-26-10-5-8-23(18-26)29(37)32-19-24-9-4-7-21-6-2-3-11-27(21)24;1-18-6-3-4-7-22(18)17-29-26(34)21-8-5-9-24(16-21)31-27-28-15-14-25(32-27)20-10-12-23(13-11-20)30-19(2)33;2*1-17(33)30-22-10-8-19(9-11-22)24-12-13-28-26(32-24)31-23-7-3-5-20(15-23)25(34)29-16-18-4-2-6-21(27)14-18;1-17(31)26-20-10-8-18(9-11-20)22-12-13-25-24(28-22)27-21-7-5-6-19(16-21)23(32)30(4)15-14-29(2)3;1-14(28)24-17-7-5-15(6-8-17)20-11-12-23-22(27-20)26-19-4-2-3-16(13-19)21(29)25-18-9-10-18/h2-18H,19H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);3-16H,17H2,1-2H3,(H,29,34)(H,30,33)(H,28,31,32);2*2-15H,16H2,1H3,(H,29,34)(H,30,33)(H,28,31,32);5-13,16H,14-15H2,1-4H3,(H,26,31)(H,25,27,28);2-8,11-13,18H,9-10H2,1H3,(H,24,28)(H,25,29)(H,23,26,27)
InChIKeyNHPKOSGAGJSJML-UHFFFAOYSA-N
XLogP28.57
TPSA570.51 Ų
H-Bond Donors17
H-Bond Acceptors31
Rotatable Bonds42
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002686.50
LogP ≤ 528.57
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1031

Analyze 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide?
The IUPAC name of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide (CID 159783045) is 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide.
What is the SMILES notation for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide?
The canonical SMILES for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide is CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N(C)CCN(C)C)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NC4CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc(Cl)c4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc(F)c4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc5ccccc45)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccccc4C)c3)n2)cc1.
What is the InChIKey of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide?
The InChIKey is NHPKOSGAGJSJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O2.C27H25N5O2.C26H22ClN5O2.C26H22FN5O2.C24H28N6O2.C22H21N5O2/c1-20(36)33-25-14-12-22(13-15-25)28-16-17-31-30(35-28)34-26-10-5-8-23(18-26)29(37)32-19-24-9-4-7-21-6-2-3-11-27(21)24;1-18-6-3-4-7-22(18)17-29-26(34)21-8-5-9-24(16-21)31-27-28-15-14-25(32-27)20-10-12-23(13-11-20)30-19(2)33;2*1-17(33)30-22-10-8-19(9-11-22)24-12-13-28-26(32-24)31-23-7-3-5-20(15-23)25(34)29-16-18-4-2-6-21(27)14-18;1-17(31)26-20-10-8-18(9-11-20)22-12-13-25-24(28-22)27-21-7-5-6-19(16-21)23(32)30(4)15-14-29(2)3;1-14(28)24-17-7-5-15(6-8-17)20-11-12-23-22(27-20)26-19-4-2-3-16(13-19)21(29)25-18-9-10-18/h2-18H,19H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);3-16H,17H2,1-2H3,(H,29,34)(H,30,33)(H,28,31,32);2*2-15H,16H2,1H3,(H,29,34)(H,30,33)(H,28,31,32);5-13,16H,14-15H2,1-4H3,(H,26,31)(H,25,27,28);2-8,11-13,18H,9-10H2,1H3,(H,24,28)(H,25,29)(H,23,26,27).
What are the key properties of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide?
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide has a molecular weight of 2686.50 g/mol, XLogP of 28.57, 42 rotatable bonds, 17 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopropylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-methylphenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(naphthalen-1-ylmethyl)benzamide is sourced from PubChem (CID 159783045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).