4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid

C14H9Cl2NO3 — CID 53228066

IUPAC4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
SMILESNC(=O)c1cc(-c2ccc(C(=O)O)c(Cl)c2)ccc1Cl
InChIInChI=1S/C14H9Cl2NO3/c15-11-4-2-7(5-10(11)13(17)18)8-1-3-9(14(19)20)12(16)6-8/h1-6H,(H2,17,18)(H,19,20)
InChIKeyQVYPJYPKKMSVSM-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.46
Rot. Bonds3

About 4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid

4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid (PubChem CID 53228066) has the molecular formula C14H9Cl2NO3 and a molecular weight of 310.14 g/mol. Its IUPAC name is 4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
PubChem CID53228066
Molecular FormulaC14H9Cl2NO3
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC Name4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
SMILESNC(=O)c1cc(-c2ccc(C(=O)O)c(Cl)c2)ccc1Cl
InChIInChI=1S/C14H9Cl2NO3/c15-11-4-2-7(5-10(11)13(17)18)8-1-3-9(14(19)20)12(16)6-8/h1-6H,(H2,17,18)(H,19,20)
InChIKeyQVYPJYPKKMSVSM-UHFFFAOYSA-N
XLogP3.46
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
2-chloro-4-phenylbenzoic acid
CID 21487426
5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53224202
5-(3-carbamoylphenyl)-2-chlorobenzoic acid
CID 53226144
5-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 134623243
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
2-chloro-5-(3-methylphenyl)benzamide
CID 151079507
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
2-chloro-4-(4-methoxyphenyl)benzamide
CID 23360610
5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide
CID 53221867
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid?
The IUPAC name of 4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid (CID 53228066) is 4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid.
What is the SMILES notation for 4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid?
The canonical SMILES for 4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid is NC(=O)c1cc(-c2ccc(C(=O)O)c(Cl)c2)ccc1Cl.
What is the InChIKey of 4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid?
The InChIKey is QVYPJYPKKMSVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO3/c15-11-4-2-7(5-10(11)13(17)18)8-1-3-9(14(19)20)12(16)6-8/h1-6H,(H2,17,18)(H,19,20).
What are the key properties of 4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid?
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid has a molecular weight of 310.14 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid is sourced from PubChem (CID 53228066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).