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

C16H14ClNO3 — CID 60748562

IUPAC2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1ccccc1CC(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C16H14ClNO3/c1-10-4-2-3-5-11(10)8-15(19)18-12-6-7-14(17)13(9-12)16(20)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyWYPHIPUQFXHYMX-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.53
Rot. Bonds4

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

2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid (PubChem CID 60748562) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
PubChem CID60748562
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1ccccc1CC(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C16H14ClNO3/c1-10-4-2-3-5-11(10)8-15(19)18-12-6-7-14(17)13(9-12)16(20)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyWYPHIPUQFXHYMX-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

methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate
CID 38239137
5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid
CID 60861944
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 60615922
2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
CID 63652253
5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
CID 43714080
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996573
N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 113270900
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202
2-chloro-5-(3-chloropropanoylamino)benzoic acid
CID 43701853
2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 108806419
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid (CID 60748562) is 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid is Cc1ccccc1CC(=O)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid?
The InChIKey is WYPHIPUQFXHYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10-4-2-3-5-11(10)8-15(19)18-12-6-7-14(17)13(9-12)16(20)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid?
2-chloro-5-[[2-(2-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 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 60748562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).