2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid

C16H14ClNO5 — CID 16777026

IUPAC2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2cccc(Cl)c2)c(C(=O)O)cc1OC
InChIInChI=1S/C16H14ClNO5/c1-22-13-7-11(16(20)21)12(8-14(13)23-2)18-15(19)9-4-3-5-10(17)6-9/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyHYLMUFFVVJXTAT-UHFFFAOYSA-N
MW335.74 g/mol
LogP3.31
Rot. Bonds5

About 2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid

2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid (PubChem CID 16777026) has the molecular formula C16H14ClNO5 and a molecular weight of 335.74 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
PubChem CID16777026
Molecular FormulaC16H14ClNO5
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Name2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2cccc(Cl)c2)c(C(=O)O)cc1OC
InChIInChI=1S/C16H14ClNO5/c1-22-13-7-11(16(20)21)12(8-14(13)23-2)18-15(19)9-4-3-5-10(17)6-9/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyHYLMUFFVVJXTAT-UHFFFAOYSA-N
XLogP3.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
CID 24635188
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate
CID 19226453
2-[(3-chlorobenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782249
methyl 2-[(3-iodobenzoyl)amino]-4,5-dimethoxybenzoate
CID 26176939
4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
CID 16771039
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid (CID 16777026) is 2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid is COc1cc(NC(=O)c2cccc(Cl)c2)c(C(=O)O)cc1OC.
What is the InChIKey of 2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid?
The InChIKey is HYLMUFFVVJXTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5/c1-22-13-7-11(16(20)21)12(8-14(13)23-2)18-15(19)9-4-3-5-10(17)6-9/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid?
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid has a molecular weight of 335.74 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 16777026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).