4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid

C16H14ClNO3 — CID 43235603

IUPAC4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1ccc(CC(=O)Nc2cc(C(=O)O)ccc2Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-10-2-4-11(5-3-10)8-15(19)18-14-9-12(16(20)21)6-7-13(14)17/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyKNDYDYIHCGZPBU-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.53
Rot. Bonds4

About 4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid

4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid (PubChem CID 43235603) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
PubChem CID43235603
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1ccc(CC(=O)Nc2cc(C(=O)O)ccc2Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-10-2-4-11(5-3-10)8-15(19)18-14-9-12(16(20)21)6-7-13(14)17/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyKNDYDYIHCGZPBU-UHFFFAOYSA-N
XLogP3.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[(4-methylphenyl)methylamino]benzoic acid
CID 17058925
N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid
CID 893334
3-[[2-(tert-butylamino)acetyl]amino]-4-chlorobenzoic acid
CID 79256869
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
4-chloro-3-[[2-(4-chlorophenyl)acetyl]amino]benzamide
CID 50875886
4-chloro-3-[(4-methylbenzoyl)carbamothioylamino]benzoic acid
CID 960741
4-chloro-3-[[2-(pentan-3-ylamino)acetyl]amino]benzoic acid
CID 103231105
4-chloro-3-[[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]amino]benzoic acid
CID 103253128
N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 103769385
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid (CID 43235603) is 4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid is Cc1ccc(CC(=O)Nc2cc(C(=O)O)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid?
The InChIKey is KNDYDYIHCGZPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10-2-4-11(5-3-10)8-15(19)18-14-9-12(16(20)21)6-7-13(14)17/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid?
4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 43235603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).