4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid

C16H14ClNO3 — CID 43233744

IUPAC4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H14ClNO3/c17-14-3-1-2-13(10-14)15(19)18-9-8-11-4-6-12(7-5-11)16(20)21/h1-7,10H,8-9H2,(H,18,19)(H,20,21)
InChIKeyCJFMXPAXDDBNPI-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.01
Rot. Bonds5

About 4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid

4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid (PubChem CID 43233744) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid
PubChem CID43233744
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H14ClNO3/c17-14-3-1-2-13(10-14)15(19)18-9-8-11-4-6-12(7-5-11)16(20)21/h1-7,10H,8-9H2,(H,18,19)(H,20,21)
InChIKeyCJFMXPAXDDBNPI-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 4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid (CID 43233744) is 4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid?
The InChIKey is CJFMXPAXDDBNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-14-3-1-2-13(10-14)15(19)18-9-8-11-4-6-12(7-5-11)16(20)21/h1-7,10H,8-9H2,(H,18,19)(H,20,21).
What are the key properties of 4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid?
4-[2-[(3-chlorobenzoyl)amino]ethyl]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 4-[2-[(3-chlorobenzoyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 43233744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).