5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid

C16H14ClNO4 — CID 2233630

IUPAC5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid
SMILESCOc1ccccc1CC(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C16H14ClNO4/c1-22-14-5-3-2-4-10(14)8-15(19)18-13-7-6-11(17)9-12(13)16(20)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyKRTHYUOCDKWNLI-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.23
Rot. Bonds5

About 5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid

5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid (PubChem CID 2233630) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is 5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid
PubChem CID2233630
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid
SMILESCOc1ccccc1CC(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C16H14ClNO4/c1-22-14-5-3-2-4-10(14)8-15(19)18-13-7-6-11(17)9-12(13)16(20)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyKRTHYUOCDKWNLI-UHFFFAOYSA-N
XLogP3.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 3375078
N-(2-amino-4-hydroxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 107697668
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
5-chloro-2-[3-(2-methylphenyl)propanoylamino]benzoic acid
CID 141008006
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78888980
2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
CID 61158198
2-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 17423898
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
5-chloro-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
CID 141008038

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid (CID 2233630) is 5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid is COc1ccccc1CC(=O)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is KRTHYUOCDKWNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-22-14-5-3-2-4-10(14)8-15(19)18-13-7-6-11(17)9-12(13)16(20)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid?
5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid has a molecular weight of 319.74 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 2233630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).