2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid

C17H15NO3 — CID 118900341

IUPAC2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid
SMILESC=C(C)c1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C17H15NO3/c1-11(2)12-6-5-7-13(10-12)18-16(19)14-8-3-4-9-15(14)17(20)21/h3-10H,1H2,2H3,(H,18,19)(H,20,21)
InChIKeyXZIXCAYEKFRQFZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.67
Rot. Bonds4

About 2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid

2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid (PubChem CID 118900341) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid
PubChem CID118900341
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid
SMILESC=C(C)c1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C17H15NO3/c1-11(2)12-6-5-7-13(10-12)18-16(19)14-8-3-4-9-15(14)17(20)21/h3-10H,1H2,2H3,(H,18,19)(H,20,21)
InChIKeyXZIXCAYEKFRQFZ-UHFFFAOYSA-N
XLogP3.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118900222
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CID 17230631
2-[[3-(3-oxobutanoylamino)phenyl]carbamoyl]benzoic acid
CID 139947577
3-[(2-carbamoylbenzoyl)amino]benzoic acid
CID 4607393
2-[(3-ethylphenyl)carbamoyl]benzoic acid;propan-2-one
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3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
2-[(3-acetyl-4-chlorophenyl)carbamoyl]benzoic acid
CID 85472718
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047

Frequently Asked Questions

What is the IUPAC name of 2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid (CID 118900341) is 2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid is C=C(C)c1cccc(NC(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid?
The InChIKey is XZIXCAYEKFRQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11(2)12-6-5-7-13(10-12)18-16(19)14-8-3-4-9-15(14)17(20)21/h3-10H,1H2,2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid?
2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid has a molecular weight of 281.31 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 118900341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).