2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid

C19H20N2O4 — CID 118894327

IUPAC2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid
SMILESCCCCc1ccc(NC(=O)c2ccccc2C(=O)O)cc1C(N)=O
InChIInChI=1S/C19H20N2O4/c1-2-3-6-12-9-10-13(11-16(12)17(20)22)21-18(23)14-7-4-5-8-15(14)19(24)25/h4-5,7-11H,2-3,6H2,1H3,(H2,20,22)(H,21,23)(H,24,25)
InChIKeyGKSKQNGGSYUDGW-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.08
Rot. Bonds7

About 2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid

2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid (PubChem CID 118894327) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid
PubChem CID118894327
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid
SMILESCCCCc1ccc(NC(=O)c2ccccc2C(=O)O)cc1C(N)=O
InChIInChI=1S/C19H20N2O4/c1-2-3-6-12-9-10-13(11-16(12)17(20)22)21-18(23)14-7-4-5-8-15(14)19(24)25/h4-5,7-11H,2-3,6H2,1H3,(H2,20,22)(H,21,23)(H,24,25)
InChIKeyGKSKQNGGSYUDGW-UHFFFAOYSA-N
XLogP3.08
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-butyl-3-cyanophenyl)carbamoyl]benzoic acid
CID 90451445
2-butyl-N-phenylbenzamide
CID 3695058
2-butylbenzamide
CID 15468173
2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid
CID 85473078
azane;2-butylbenzoic acid
CID 174819524
2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17195127
2-[(3-acetyl-4-chlorophenyl)carbamoyl]benzoic acid
CID 85472718
4,6-dibutylbenzene-1,3-dicarboxylic acid
CID 139637590
2-[(4-decoxyphenyl)carbamoyl]benzoic acid
CID 51001456
2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
2-[butyl(ethyl)amino]-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807321
2-octylbenzamide
CID 11148995

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid (CID 118894327) is 2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid is CCCCc1ccc(NC(=O)c2ccccc2C(=O)O)cc1C(N)=O.
What is the InChIKey of 2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid?
The InChIKey is GKSKQNGGSYUDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-3-6-12-9-10-13(11-16(12)17(20)22)21-18(23)14-7-4-5-8-15(14)19(24)25/h4-5,7-11H,2-3,6H2,1H3,(H2,20,22)(H,21,23)(H,24,25).
What are the key properties of 2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid?
2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 118894327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).