2-[(3-chlorophenyl)carbamoylamino]benzoic acid

C14H11ClN2O3 — CID 853792

IUPAC2-[(3-chlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H11ClN2O3/c15-9-4-3-5-10(8-9)16-14(20)17-12-7-2-1-6-11(12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)
InChIKeyLCZQWCSGKIRNIT-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.68
Rot. Bonds3

About 2-[(3-chlorophenyl)carbamoylamino]benzoic acid

2-[(3-chlorophenyl)carbamoylamino]benzoic acid (PubChem CID 853792) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]benzoic acid
PubChem CID853792
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H11ClN2O3/c15-9-4-3-5-10(8-9)16-14(20)17-12-7-2-1-6-11(12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)
InChIKeyLCZQWCSGKIRNIT-UHFFFAOYSA-N
XLogP3.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]benzoic acid (CID 853792) is 2-[(3-chlorophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]benzoic acid is O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]benzoic acid?
The InChIKey is LCZQWCSGKIRNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-9-4-3-5-10(8-9)16-14(20)17-12-7-2-1-6-11(12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]benzoic acid?
2-[(3-chlorophenyl)carbamoylamino]benzoic acid has a molecular weight of 290.71 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 853792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).