4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid

C16H14ClNO4 — CID 839406

IUPAC4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
SMILESCOc1ccc(CC(=O)Nc2cc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C16H14ClNO4/c1-22-12-5-2-10(3-6-12)8-15(19)18-14-9-11(17)4-7-13(14)16(20)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyJSIKTCHDNPPTCK-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.23
Rot. Bonds5

About 4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid

4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid (PubChem CID 839406) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is 4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
PubChem CID839406
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
SMILESCOc1ccc(CC(=O)Nc2cc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C16H14ClNO4/c1-22-12-5-2-10(3-6-12)8-15(19)18-14-9-11(17)4-7-13(14)16(20)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyJSIKTCHDNPPTCK-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid (CID 839406) is 4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid is COc1ccc(CC(=O)Nc2cc(Cl)ccc2C(=O)O)cc1.
What is the InChIKey of 4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is JSIKTCHDNPPTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-22-12-5-2-10(3-6-12)8-15(19)18-14-9-11(17)4-7-13(14)16(20)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid?
4-chloro-2-[[2-(4-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 4-chloro-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 839406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).