2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid

C16H14ClNO3 — CID 3616161

IUPAC2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c17-12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKeyHFJCSZXFFXTZEW-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.01
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid

2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid (PubChem CID 3616161) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
PubChem CID3616161
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c17-12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKeyHFJCSZXFFXTZEW-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid (CID 3616161) is 2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid?
The InChIKey is HFJCSZXFFXTZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid?
2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic acid is sourced from PubChem (CID 3616161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).