2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid

C16H12FNO3 — CID 744037

IUPAC2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid
SMILESO=C(O)C(=Cc1ccccc1F)NC(=O)c1ccccc1
InChIInChI=1S/C16H12FNO3/c17-13-9-5-4-8-12(13)10-14(16(20)21)18-15(19)11-6-2-1-3-7-11/h1-10H,(H,18,19)(H,20,21)
InChIKeyVEWYDJBKJCXPSI-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.68
Rot. Bonds4

About 2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid

2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid (PubChem CID 744037) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid
PubChem CID744037
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid
SMILESO=C(O)C(=Cc1ccccc1F)NC(=O)c1ccccc1
InChIInChI=1S/C16H12FNO3/c17-13-9-5-4-8-12(13)10-14(16(20)21)18-15(19)11-6-2-1-3-7-11/h1-10H,(H,18,19)(H,20,21)
InChIKeyVEWYDJBKJCXPSI-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate
CID 2063688
N-[(E)-3-(benzylamino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5440572
N-[1-(2-fluorophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2860308
(E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 6210016
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
N-[1-(2-fluorophenyl)-3-(4-iodoanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 1108518
2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149
N-[(Z)-1-(2-fluorophenyl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 7033587
N-[(Z)-1-(2-fluorophenyl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6516961
(E)-2-benzamido-3-(2,4-dichlorophenyl)prop-2-enoic acid
CID 6209843
(2R)-2-[[(E)-2-benzamido-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 40879406
(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
CID 6480681

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid?
The IUPAC name of 2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid (CID 744037) is 2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid.
What is the SMILES notation for 2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid?
The canonical SMILES for 2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid is O=C(O)C(=Cc1ccccc1F)NC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid?
The InChIKey is VEWYDJBKJCXPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-13-9-5-4-8-12(13)10-14(16(20)21)18-15(19)11-6-2-1-3-7-11/h1-10H,(H,18,19)(H,20,21).
What are the key properties of 2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid?
2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid has a molecular weight of 285.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid is sourced from PubChem (CID 744037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).