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

C16H15ClN2O3 — CID 108891822

IUPAC4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
SMILESO=C(NCCc1ccc(Cl)cc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15ClN2O3/c17-13-5-1-11(2-6-13)9-10-18-16(22)19-14-7-3-12(4-8-14)15(20)21/h1-8H,9-10H2,(H,20,21)(H2,18,19,22)
InChIKeyIZYZPCNRCZNZTN-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.40
Rot. Bonds5

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

4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid (PubChem CID 108891822) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
PubChem CID108891822
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
SMILESO=C(NCCc1ccc(Cl)cc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15ClN2O3/c17-13-5-1-11(2-6-13)9-10-18-16(22)19-14-7-3-12(4-8-14)15(20)21/h1-8H,9-10H2,(H,20,21)(H2,18,19,22)
InChIKeyIZYZPCNRCZNZTN-UHFFFAOYSA-N
XLogP3.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
1-(4-chlorophenyl)-3-[2-(4-cyanophenyl)ethyl]urea
CID 155436717
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296
4-(3-chloropropylcarbamoylamino)benzoic acid
CID 127562069
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120
1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108892033
1-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-3-(4-chlorophenyl)urea
CID 108782131
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid
CID 119168896
4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid
CID 119168848

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid?
The IUPAC name of 4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid (CID 108891822) is 4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid is O=C(NCCc1ccc(Cl)cc1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid?
The InChIKey is IZYZPCNRCZNZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-13-5-1-11(2-6-13)9-10-18-16(22)19-14-7-3-12(4-8-14)15(20)21/h1-8H,9-10H2,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid?
4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid has a molecular weight of 318.76 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid is sourced from PubChem (CID 108891822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).