5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid

C17H15ClN2O4 — CID 39164495

IUPAC5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C17H15ClN2O4/c1-10(21)19-9-11-2-4-12(5-3-11)16(22)20-13-6-7-15(18)14(8-13)17(23)24/h2-8H,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyQUSOPPRJGWHIPD-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.93
Rot. Bonds5

About 5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid

5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid (PubChem CID 39164495) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid
PubChem CID39164495
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C17H15ClN2O4/c1-10(21)19-9-11-2-4-12(5-3-11)16(22)20-13-6-7-15(18)14(8-13)17(23)24/h2-8H,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyQUSOPPRJGWHIPD-UHFFFAOYSA-N
XLogP2.93
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
2-chloro-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 60748503
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
4-(acetamidomethyl)-N-(3-fluorophenyl)benzamide
CID 18194975
3-[[4-(acetamidomethyl)benzoyl]amino]benzamide
CID 78807046
2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
CID 60748188
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391
4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86931986
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate
CID 38239113
5-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-chlorobenzoic acid
CID 60862715
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid?
The IUPAC name of 5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid (CID 39164495) is 5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid?
The canonical SMILES for 5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid is CC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid?
The InChIKey is QUSOPPRJGWHIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-10(21)19-9-11-2-4-12(5-3-11)16(22)20-13-6-7-15(18)14(8-13)17(23)24/h2-8H,9H2,1H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid?
5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid has a molecular weight of 346.77 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid is sourced from PubChem (CID 39164495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).