2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid

C17H15NO3 — CID 138738575

IUPAC2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid
SMILESC/C=C\c1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C17H15NO3/c1-2-7-12-8-3-6-11-15(12)18-16(19)13-9-4-5-10-14(13)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b7-2-
InChIKeyZYMCUBWLYBZELF-UQCOIBPSSA-N
MW281.31 g/mol
LogP3.67
Rot. Bonds4

About 2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid

2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid (PubChem CID 138738575) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid
PubChem CID138738575
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid
SMILESC/C=C\c1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C17H15NO3/c1-2-7-12-8-3-6-11-15(12)18-16(19)13-9-4-5-10-14(13)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b7-2-
InChIKeyZYMCUBWLYBZELF-UQCOIBPSSA-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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2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
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2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
2-fluoro-3-prop-1-enylbenzoic acid
CID 67068425
2-[[2-(methylamino)benzoyl]amino]benzoic acid
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N-(2-prop-1-enylphenyl)hydroxylamine
CID 57180456
(E)-N-(2-benzoylphenyl)but-2-enamide
CID 20555207
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
CID 66717184
CID 66717184
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid (CID 138738575) is 2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid is C/C=C\c1ccccc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is ZYMCUBWLYBZELF-UQCOIBPSSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-7-12-8-3-6-11-15(12)18-16(19)13-9-4-5-10-14(13)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b7-2-.
What are the key properties of 2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid?
2-[[2-[(Z)-prop-1-enyl]phenyl]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-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 138738575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).