2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid

C15H11Cl2NO3 — CID 63724266

IUPAC2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C15H11Cl2NO3/c16-10-6-4-9(5-7-10)8-13(19)18-12-3-1-2-11(17)14(12)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyYWWNERHEYIYBOS-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.87
Rot. Bonds4

About 2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid

2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid (PubChem CID 63724266) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
PubChem CID63724266
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C15H11Cl2NO3/c16-10-6-4-9(5-7-10)8-13(19)18-12-3-1-2-11(17)14(12)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyYWWNERHEYIYBOS-UHFFFAOYSA-N
XLogP3.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[[2-(2-fluorophenyl)acetyl]amino]benzoic acid
CID 63723434
2-chloro-6-(3-phenylpropanoylamino)benzoic acid
CID 63723256
2-(4-aminobutanoylamino)-6-chlorobenzoic acid
CID 63722595
3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid
CID 974933
2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 63724953
2-(6-aminohexanoylamino)-6-chlorobenzoic acid
CID 63724633
2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346
2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 28666359
2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide
CID 113340918
N-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid
CID 64612265
2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63724965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid?
The IUPAC name of 2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid (CID 63724266) is 2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid is O=C(Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid?
The InChIKey is YWWNERHEYIYBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-10-6-4-9(5-7-10)8-13(19)18-12-3-1-2-11(17)14(12)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid?
2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid has a molecular weight of 324.16 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 63724266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).