4-[(3,4-diethylphenyl)carbamoyl]benzoic acid

C18H19NO3 — CID 10357272

IUPAC4-[(3,4-diethylphenyl)carbamoyl]benzoic acid
SMILESCCc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1CC
InChIInChI=1S/C18H19NO3/c1-3-12-9-10-16(11-13(12)4-2)19-17(20)14-5-7-15(8-6-14)18(21)22/h5-11H,3-4H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyXUEQPMJWWJNFPY-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.76
Rot. Bonds5

About 4-[(3,4-diethylphenyl)carbamoyl]benzoic acid

4-[(3,4-diethylphenyl)carbamoyl]benzoic acid (PubChem CID 10357272) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-[(3,4-diethylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3,4-diethylphenyl)carbamoyl]benzoic acid
PubChem CID10357272
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-[(3,4-diethylphenyl)carbamoyl]benzoic acid
SMILESCCc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1CC
InChIInChI=1S/C18H19NO3/c1-3-12-9-10-16(11-13(12)4-2)19-17(20)14-5-7-15(8-6-14)18(21)22/h5-11H,3-4H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyXUEQPMJWWJNFPY-UHFFFAOYSA-N
XLogP3.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-diethylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(3,4-diethylphenyl)carbamoyl]benzoic acid (CID 10357272) is 4-[(3,4-diethylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(3,4-diethylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(3,4-diethylphenyl)carbamoyl]benzoic acid is CCc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1CC.
What is the InChIKey of 4-[(3,4-diethylphenyl)carbamoyl]benzoic acid?
The InChIKey is XUEQPMJWWJNFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-12-9-10-16(11-13(12)4-2)19-17(20)14-5-7-15(8-6-14)18(21)22/h5-11H,3-4H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[(3,4-diethylphenyl)carbamoyl]benzoic acid?
4-[(3,4-diethylphenyl)carbamoyl]benzoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-diethylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 10357272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).