3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide

C154H140Cl2N30O14 — CID 160916040

IUPAC3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N(C)Cc4ccccc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NC4CCCC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccccc4Cl)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccco4)c3)n2)cc1.COc1ccc(CNC(=O)c2cccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)cc1
InChIInChI=1S/C27H25N5O3.C27H25N5O2.2C26H22ClN5O2.C24H21N5O3.C24H25N5O2/c1-18(33)30-22-10-8-20(9-11-22)25-14-15-28-27(32-25)31-23-5-3-4-21(16-23)26(34)29-17-19-6-12-24(35-2)13-7-19;1-19(33)29-23-13-11-21(12-14-23)25-15-16-28-27(31-25)30-24-10-6-9-22(17-24)26(34)32(2)18-20-7-4-3-5-8-20;1-17(33)30-21-11-9-18(10-12-21)24-13-14-28-26(32-24)31-22-7-4-6-19(15-22)25(34)29-16-20-5-2-3-8-23(20)27;1-17(33)30-22-11-7-19(8-12-22)24-13-14-28-26(32-24)31-23-4-2-3-20(15-23)25(34)29-16-18-5-9-21(27)10-6-18;1-16(30)27-19-9-7-17(8-10-19)22-11-12-25-24(29-22)28-20-5-2-4-18(14-20)23(31)26-15-21-6-3-13-32-21;1-16(30)26-20-11-9-17(10-12-20)22-13-14-25-24(29-22)28-21-8-4-5-18(15-21)23(31)27-19-6-2-3-7-19/h3-16H,17H2,1-2H3,(H,29,34)(H,30,33)(H,28,31,32);3-17H,18H2,1-2H3,(H,29,33)(H,28,30,31);2*2-15H,16H2,1H3,(H,29,34)(H,30,33)(H,28,31,32);2-14H,15H2,1H3,(H,26,31)(H,27,30)(H,25,28,29);4-5,8-15,19H,2-3,6-7H2,1H3,(H,26,30)(H,27,31)(H,25,28,29)
InChIKeySRKKXPBPVZCYKU-UHFFFAOYSA-N
MW2705.92 g/mol
LogP29.65
Rot. Bonds42

About 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide

3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 160916040) has the molecular formula C154H140Cl2N30O14 and a molecular weight of 2705.92 g/mol. Its IUPAC name is 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID160916040
Molecular FormulaC154H140Cl2N30O14
Molecular Weight2705.92 g/mol
Exact Mass2703.05
IUPAC Name3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N(C)Cc4ccccc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NC4CCCC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccccc4Cl)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccco4)c3)n2)cc1.COc1ccc(CNC(=O)c2cccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)cc1
InChIInChI=1S/C27H25N5O3.C27H25N5O2.2C26H22ClN5O2.C24H21N5O3.C24H25N5O2/c1-18(33)30-22-10-8-20(9-11-22)25-14-15-28-27(32-25)31-23-5-3-4-21(16-23)26(34)29-17-19-6-12-24(35-2)13-7-19;1-19(33)29-23-13-11-21(12-14-23)25-15-16-28-27(31-25)30-24-10-6-9-22(17-24)26(34)32(2)18-20-7-4-3-5-8-20;1-17(33)30-21-11-9-18(10-12-21)24-13-14-28-26(32-24)31-22-7-4-6-19(15-22)25(34)29-16-20-5-2-3-8-23(20)27;1-17(33)30-22-11-7-19(8-12-22)24-13-14-28-26(32-24)31-23-4-2-3-20(15-23)25(34)29-16-18-5-9-21(27)10-6-18;1-16(30)27-19-9-7-17(8-10-19)22-11-12-25-24(29-22)28-20-5-2-4-18(14-20)23(31)26-15-21-6-3-13-32-21;1-16(30)26-20-11-9-17(10-12-20)22-13-14-25-24(29-22)28-21-8-4-5-18(15-21)23(31)27-19-6-2-3-7-19/h3-16H,17H2,1-2H3,(H,29,34)(H,30,33)(H,28,31,32);3-17H,18H2,1-2H3,(H,29,33)(H,28,30,31);2*2-15H,16H2,1H3,(H,29,34)(H,30,33)(H,28,31,32);2-14H,15H2,1H3,(H,26,31)(H,27,30)(H,25,28,29);4-5,8-15,19H,2-3,6-7H2,1H3,(H,26,30)(H,27,31)(H,25,28,29)
InChIKeySRKKXPBPVZCYKU-UHFFFAOYSA-N
XLogP29.65
TPSA589.64 Ų
H-Bond Donors17
H-Bond Acceptors32
Rotatable Bonds42
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002705.92
LogP ≤ 529.65
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1032

Analyze 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]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-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide (CID 160916040) is 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide is CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N(C)Cc4ccccc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NC4CCCC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccccc4Cl)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccco4)c3)n2)cc1.COc1ccc(CNC(=O)c2cccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)cc1.
What is the InChIKey of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is SRKKXPBPVZCYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3.C27H25N5O2.2C26H22ClN5O2.C24H21N5O3.C24H25N5O2/c1-18(33)30-22-10-8-20(9-11-22)25-14-15-28-27(32-25)31-23-5-3-4-21(16-23)26(34)29-17-19-6-12-24(35-2)13-7-19;1-19(33)29-23-13-11-21(12-14-23)25-15-16-28-27(31-25)30-24-10-6-9-22(17-24)26(34)32(2)18-20-7-4-3-5-8-20;1-17(33)30-21-11-9-18(10-12-21)24-13-14-28-26(32-24)31-22-7-4-6-19(15-22)25(34)29-16-20-5-2-3-8-23(20)27;1-17(33)30-22-11-7-19(8-12-22)24-13-14-28-26(32-24)31-23-4-2-3-20(15-23)25(34)29-16-18-5-9-21(27)10-6-18;1-16(30)27-19-9-7-17(8-10-19)22-11-12-25-24(29-22)28-20-5-2-4-18(14-20)23(31)26-15-21-6-3-13-32-21;1-16(30)26-20-11-9-17(10-12-20)22-13-14-25-24(29-22)28-21-8-4-5-18(15-21)23(31)27-19-6-2-3-7-19/h3-16H,17H2,1-2H3,(H,29,34)(H,30,33)(H,28,31,32);3-17H,18H2,1-2H3,(H,29,33)(H,28,30,31);2*2-15H,16H2,1H3,(H,29,34)(H,30,33)(H,28,31,32);2-14H,15H2,1H3,(H,26,31)(H,27,30)(H,25,28,29);4-5,8-15,19H,2-3,6-7H2,1H3,(H,26,30)(H,27,31)(H,25,28,29).
What are the key properties of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide?
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 2705.92 g/mol, XLogP of 29.65, 42 rotatable bonds, 17 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-benzyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-chlorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-cyclopentylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 160916040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).