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

C15H13ClN2O3 — CID 61192540

IUPAC3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid
SMILESO=C(NCc1ccccc1Cl)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-2-1-4-11(13)9-17-15(21)18-12-6-3-5-10(8-12)14(19)20/h1-8H,9H2,(H,19,20)(H2,17,18,21)
InChIKeyJGELXOIDDLFSEK-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.36
Rot. Bonds4

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

3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid (PubChem CID 61192540) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid
PubChem CID61192540
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid
SMILESO=C(NCc1ccccc1Cl)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-2-1-4-11(13)9-17-15(21)18-12-6-3-5-10(8-12)14(19)20/h1-8H,9H2,(H,19,20)(H2,17,18,21)
InChIKeyJGELXOIDDLFSEK-UHFFFAOYSA-N
XLogP3.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
3-[[(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
CID 108835770
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
CID 35524616
3-[(2,4-dichlorophenoxy)methylcarbamoylamino]benzoic acid
CID 108880826
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 40726871
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
2-[3-[(2-chlorophenyl)methylcarbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434290
3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523742
3-(1,2-oxazol-3-ylmethylcarbamoylamino)benzoic acid
CID 81177747
1-[2-(2-chlorophenyl)ethyl]-3-(3-hydroxyphenyl)urea
CID 108895923

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid?
The IUPAC name of 3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid (CID 61192540) is 3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid.
What is the SMILES notation for 3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid?
The canonical SMILES for 3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid is O=C(NCc1ccccc1Cl)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid?
The InChIKey is JGELXOIDDLFSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-13-7-2-1-4-11(13)9-17-15(21)18-12-6-3-5-10(8-12)14(19)20/h1-8H,9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid?
3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid has a molecular weight of 304.73 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid is sourced from PubChem (CID 61192540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).