N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide

C112H120Cl5N5O23 — CID 161170611

IUPACN-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC(C)C)c(OC(C)C)c2)cc1O.CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC3CCC3)c(OC3CCC3)c2)cc1.CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC3CCC3)c(OC3CCC3)c2)cc1C.CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC3CCC3)c(OC3CCC3)c2)cc1O.CCOc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)c(O)c2)cc1OCC1CC1
InChIInChI=1S/C24H26ClNO4.C23H24ClNO5.C23H24ClNO4.C21H22ClNO5.C21H24ClNO5/c1-14-11-17(9-10-20(14)15(2)27)26-24(28)16-12-21(25)23(30-19-7-4-8-19)22(13-16)29-18-5-3-6-18;1-13(26)18-9-8-15(12-20(18)27)25-23(28)14-10-19(24)22(30-17-6-3-7-17)21(11-14)29-16-4-2-5-16;1-14(26)15-8-10-17(11-9-15)25-23(27)16-12-20(24)22(29-19-6-3-7-19)21(13-16)28-18-4-2-5-18;1-3-27-20-17(22)8-14(9-19(20)28-11-13-4-5-13)21(26)23-15-6-7-16(12(2)24)18(25)10-15;1-11(2)27-19-9-14(8-17(22)20(19)28-12(3)4)21(26)23-15-6-7-16(13(5)24)18(25)10-15/h9-13,18-19H,3-8H2,1-2H3,(H,26,28);8-12,16-17,27H,2-7H2,1H3,(H,25,28);8-13,18-19H,2-7H2,1H3,(H,25,27);6-10,13,25H,3-5,11H2,1-2H3,(H,23,26);6-12,25H,1-5H3,(H,23,26)
InChIKeyURCYDVRNUVRRQD-UHFFFAOYSA-N
MW2081.47 g/mol
LogP26.75
Rot. Bonds36

About N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide

N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide (PubChem CID 161170611) has the molecular formula C112H120Cl5N5O23 and a molecular weight of 2081.47 g/mol. Its IUPAC name is N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide.

Molecular Properties

Compound NameN-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide
PubChem CID161170611
Molecular FormulaC112H120Cl5N5O23
Molecular Weight2081.47 g/mol
Exact Mass2077.68
IUPAC NameN-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC(C)C)c(OC(C)C)c2)cc1O.CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC3CCC3)c(OC3CCC3)c2)cc1.CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC3CCC3)c(OC3CCC3)c2)cc1C.CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC3CCC3)c(OC3CCC3)c2)cc1O.CCOc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)c(O)c2)cc1OCC1CC1
InChIInChI=1S/C24H26ClNO4.C23H24ClNO5.C23H24ClNO4.C21H22ClNO5.C21H24ClNO5/c1-14-11-17(9-10-20(14)15(2)27)26-24(28)16-12-21(25)23(30-19-7-4-8-19)22(13-16)29-18-5-3-6-18;1-13(26)18-9-8-15(12-20(18)27)25-23(28)14-10-19(24)22(30-17-6-3-7-17)21(11-14)29-16-4-2-5-16;1-14(26)15-8-10-17(11-9-15)25-23(27)16-12-20(24)22(29-19-6-3-7-19)21(13-16)28-18-4-2-5-18;1-3-27-20-17(22)8-14(9-19(20)28-11-13-4-5-13)21(26)23-15-6-7-16(12(2)24)18(25)10-15;1-11(2)27-19-9-14(8-17(22)20(19)28-12(3)4)21(26)23-15-6-7-16(13(5)24)18(25)10-15/h9-13,18-19H,3-8H2,1-2H3,(H,26,28);8-12,16-17,27H,2-7H2,1H3,(H,25,28);8-13,18-19H,2-7H2,1H3,(H,25,27);6-10,13,25H,3-5,11H2,1-2H3,(H,23,26);6-12,25H,1-5H3,(H,23,26)
InChIKeyURCYDVRNUVRRQD-UHFFFAOYSA-N
XLogP26.75
TPSA383.84 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002081.47
LogP ≤ 526.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide with MolForge

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Related Compounds

N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide
CID 67977860
N-(4-acetylphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide
CID 67977861
4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid
CID 51034535
N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide
CID 67977848
4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid
CID 67977734
N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide
CID 161444141
3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide
CID 88538932
4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid
CID 67977754
3-chloro-4,5-dicyclopentyloxybenzoic acid;methyl 4-aminobenzoate;methyl 4-[(3-chloro-4,5-dicyclopentyloxybenzoyl)amino]benzoate
CID 159957850
cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
CID 17128645
4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7412426
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide?
The IUPAC name of N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide (CID 161170611) is N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide.
What is the SMILES notation for N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide?
The canonical SMILES for N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide is CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC(C)C)c(OC(C)C)c2)cc1O.CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC3CCC3)c(OC3CCC3)c2)cc1.CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC3CCC3)c(OC3CCC3)c2)cc1C.CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC3CCC3)c(OC3CCC3)c2)cc1O.CCOc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)c(O)c2)cc1OCC1CC1.
What is the InChIKey of N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide?
The InChIKey is URCYDVRNUVRRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO4.C23H24ClNO5.C23H24ClNO4.C21H22ClNO5.C21H24ClNO5/c1-14-11-17(9-10-20(14)15(2)27)26-24(28)16-12-21(25)23(30-19-7-4-8-19)22(13-16)29-18-5-3-6-18;1-13(26)18-9-8-15(12-20(18)27)25-23(28)14-10-19(24)22(30-17-6-3-7-17)21(11-14)29-16-4-2-5-16;1-14(26)15-8-10-17(11-9-15)25-23(27)16-12-20(24)22(29-19-6-3-7-19)21(13-16)28-18-4-2-5-18;1-3-27-20-17(22)8-14(9-19(20)28-11-13-4-5-13)21(26)23-15-6-7-16(12(2)24)18(25)10-15;1-11(2)27-19-9-14(8-17(22)20(19)28-12(3)4)21(26)23-15-6-7-16(13(5)24)18(25)10-15/h9-13,18-19H,3-8H2,1-2H3,(H,26,28);8-12,16-17,27H,2-7H2,1H3,(H,25,28);8-13,18-19H,2-7H2,1H3,(H,25,27);6-10,13,25H,3-5,11H2,1-2H3,(H,23,26);6-12,25H,1-5H3,(H,23,26).
What are the key properties of N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide?
N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide has a molecular weight of 2081.47 g/mol, XLogP of 26.75, 36 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide is sourced from PubChem (CID 161170611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).