4-[(4-ethylphenyl)carbamoylamino]benzoic acid

C16H16N2O3 — CID 23551476

IUPAC4-[(4-ethylphenyl)carbamoylamino]benzoic acid
SMILESCCc1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16N2O3/c1-2-11-3-7-13(8-4-11)17-16(21)18-14-9-5-12(6-10-14)15(19)20/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyBLQKUVDADXYIAM-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.59
Rot. Bonds4

About 4-[(4-ethylphenyl)carbamoylamino]benzoic acid

4-[(4-ethylphenyl)carbamoylamino]benzoic acid (PubChem CID 23551476) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-ethylphenyl)carbamoylamino]benzoic acid
PubChem CID23551476
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-[(4-ethylphenyl)carbamoylamino]benzoic acid
SMILESCCc1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16N2O3/c1-2-11-3-7-13(8-4-11)17-16(21)18-14-9-5-12(6-10-14)15(19)20/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyBLQKUVDADXYIAM-UHFFFAOYSA-N
XLogP3.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid
CID 175195414
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
4-ethylbenzoic acid;formaldehyde
CID 155718391
1-(4-ethylphenyl)-3-methylurea
CID 54250791
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
4-ethylphenol;4-hydroxybenzoic acid
CID 158740772

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)carbamoylamino]benzoic acid?
The IUPAC name of 4-[(4-ethylphenyl)carbamoylamino]benzoic acid (CID 23551476) is 4-[(4-ethylphenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-[(4-ethylphenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-[(4-ethylphenyl)carbamoylamino]benzoic acid is CCc1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)carbamoylamino]benzoic acid?
The InChIKey is BLQKUVDADXYIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-11-3-7-13(8-4-11)17-16(21)18-14-9-5-12(6-10-14)15(19)20/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[(4-ethylphenyl)carbamoylamino]benzoic acid?
4-[(4-ethylphenyl)carbamoylamino]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 23551476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).