2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid

C18H18N2O4 — CID 17218704

IUPAC2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESCCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H18N2O4/c1-2-11-19-16(21)12-7-9-13(10-8-12)20-17(22)14-5-3-4-6-15(14)18(23)24/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyQJIDTEOHQSAADO-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.78
Rot. Bonds6

About 2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid

2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid (PubChem CID 17218704) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
PubChem CID17218704
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESCCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H18N2O4/c1-2-11-19-16(21)12-7-9-13(10-8-12)20-17(22)14-5-3-4-6-15(14)18(23)24/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyQJIDTEOHQSAADO-UHFFFAOYSA-N
XLogP2.78
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17195127
2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218177
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide
CID 121062109
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17195196
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 71595353
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
4-benzamido-N-ethylbenzamide
CID 17153265
4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide
CID 17180735

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid (CID 17218704) is 2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid is CCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is QJIDTEOHQSAADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-11-19-16(21)12-7-9-13(10-8-12)20-17(22)14-5-3-4-6-15(14)18(23)24/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid?
2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 326.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 17218704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).