2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid

C15H13ClN2O3 — CID 60829611

IUPAC2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-11-6-8-13(9-7-11)18(10-14(19)20)15(21)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,21)(H,19,20)
InChIKeyWFLBVUIIHLBGQB-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.46
Rot. Bonds4

About 2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid

2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid (PubChem CID 60829611) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
PubChem CID60829611
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-11-6-8-13(9-7-11)18(10-14(19)20)15(21)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,21)(H,19,20)
InChIKeyWFLBVUIIHLBGQB-UHFFFAOYSA-N
XLogP3.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
CID 66354817
2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid
CID 61191509
2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
CID 66355663
2-(4-chloro-N-phenylmethoxycarbonylanilino)acetic acid
CID 60825920
2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid
CID 115408035
2-[4-chloro-N-(2-methylpropylcarbamoyl)anilino]acetic acid
CID 61189187
2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid
CID 61214109
1-amino-3-(4-chlorophenyl)-1-phenylurea
CID 174468778
2-[N-(butylcarbamoyl)-4-chloroanilino]acetic acid
CID 60830139
2-[N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-chloroanilino]acetic acid
CID 61205070
1-(aminosulfanylmethyl)-1,3-diphenylurea
CID 90925999
3-[[carboxymethyl-(4-propan-2-ylphenyl)carbamoyl]amino]benzoic acid
CID 10405961

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid (CID 60829611) is 2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid is O=C(O)CN(C(=O)Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid?
The InChIKey is WFLBVUIIHLBGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-6-8-13(9-7-11)18(10-14(19)20)15(21)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,21)(H,19,20).
What are the key properties of 2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid?
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid has a molecular weight of 304.73 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 60829611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).