(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate

C16H11FNO3- — CID 2063688

IUPAC(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate
SMILESO=C([O-])/C(=C/c1ccccc1F)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)/p-1/b14-10-
InChIKeyVEWYDJBKJCXPSI-UVTDQMKNSA-M
MW284.27 g/mol
LogP1.35
Rot. Bonds4

About (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate

(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate (PubChem CID 2063688) has the molecular formula C16H11FNO3- and a molecular weight of 284.27 g/mol. Its IUPAC name is (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate
PubChem CID2063688
Molecular FormulaC16H11FNO3-
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate
SMILESO=C([O-])/C(=C/c1ccccc1F)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)/p-1/b14-10-
InChIKeyVEWYDJBKJCXPSI-UVTDQMKNSA-M
XLogP1.35
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate 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

2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid
CID 744037
2-benzamido-3-(2-methoxyphenyl)prop-2-enoate
CID 3610354
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
N-[1-(2-fluorophenyl)-3-(4-iodoanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 1108518
(2R)-2-[[(E)-2-benzamido-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 40879406
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
(2R)-2-[[(E)-2-benzamido-3-(2-fluorophenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 7353533
(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate
CID 2279163
benzyl 2-[[(E)-2-benzamido-3-(2-fluorophenyl)prop-2-enoyl]amino]acetate
CID 5341890
(E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 6210016

Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate?
The IUPAC name of (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate (CID 2063688) is (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate?
The canonical SMILES for (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate is O=C([O-])/C(=C/c1ccccc1F)NC(=O)c1ccccc1.
What is the InChIKey of (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate?
The InChIKey is VEWYDJBKJCXPSI-UVTDQMKNSA-M. 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)/p-1/b14-10-.
What are the key properties of (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate?
(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate has a molecular weight of 284.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 2063688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).