2-carbamoyl-5-chlorobenzoic acid

C8H6ClNO3 — CID 57087443

IUPAC2-carbamoyl-5-chlorobenzoic acid
SMILESNC(=O)c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C8H6ClNO3/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H2,10,11)(H,12,13)
InChIKeyIWZNWTVESDLZGI-UHFFFAOYSA-N
MW199.59 g/mol
LogP1.14
Rot. Bonds2

About 2-carbamoyl-5-chlorobenzoic acid

2-carbamoyl-5-chlorobenzoic acid (PubChem CID 57087443) has the molecular formula C8H6ClNO3 and a molecular weight of 199.59 g/mol. Its IUPAC name is 2-carbamoyl-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-carbamoyl-5-chlorobenzoic acid
PubChem CID57087443
Molecular FormulaC8H6ClNO3
Molecular Weight199.59 g/mol
Exact Mass199.00
IUPAC Name2-carbamoyl-5-chlorobenzoic acid
SMILESNC(=O)c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C8H6ClNO3/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H2,10,11)(H,12,13)
InChIKeyIWZNWTVESDLZGI-UHFFFAOYSA-N
XLogP1.14
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetyl-4-chlorobenzamide
CID 157282795
2-acetyl-5-chlorobenzoic acid
CID 11229391
2-aminooxycarbonyl-5-chlorobenzoic acid
CID 174257906
5-chloro-2-(2-methylpropanoyl)benzoic acid
CID 154678261
2-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-5-chlorobenzoic acid
CID 145351582
4-chloro-2-phenylbenzoic acid
CID 11424784
4-chloro-2-methylbenzoic acid;ethane
CID 145482472
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
calcium;5-chloro-2-hydroxybenzoic acid;hydride
CID 174504492
bismuth tris(2-carboxy-4-chlorophenolate)
CID 54734267
2-[(2-carboxy-4-chlorophenyl)diselanyl]-5-chlorobenzoic acid
CID 162373271
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-5-chlorobenzoic acid?
The IUPAC name of 2-carbamoyl-5-chlorobenzoic acid (CID 57087443) is 2-carbamoyl-5-chlorobenzoic acid.
What is the SMILES notation for 2-carbamoyl-5-chlorobenzoic acid?
The canonical SMILES for 2-carbamoyl-5-chlorobenzoic acid is NC(=O)c1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 2-carbamoyl-5-chlorobenzoic acid?
The InChIKey is IWZNWTVESDLZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H2,10,11)(H,12,13).
What are the key properties of 2-carbamoyl-5-chlorobenzoic acid?
2-carbamoyl-5-chlorobenzoic acid has a molecular weight of 199.59 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-5-chlorobenzoic acid is sourced from PubChem (CID 57087443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).