2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid

C16H12FNO3 — CID 761263

IUPAC2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
SMILESO=C(O)C(=Cc1ccc(F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C16H12FNO3/c17-13-8-6-11(7-9-13)10-14(16(20)21)18-15(19)12-4-2-1-3-5-12/h1-10H,(H,18,19)(H,20,21)
InChIKeyWCKFORMNIXDMCK-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.68
Rot. Bonds4

About 2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid

2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid (PubChem CID 761263) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
PubChem CID761263
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
SMILESO=C(O)C(=Cc1ccc(F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C16H12FNO3/c17-13-8-6-11(7-9-13)10-14(16(20)21)18-15(19)12-4-2-1-3-5-12/h1-10H,(H,18,19)(H,20,21)
InChIKeyWCKFORMNIXDMCK-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'}

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Related Compounds

N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 7380729
4-[(Z)-2-benzamido-2-carboxyethenyl]phenolate
CID 54712783
(Z)-2-benzamido-3-(4-boronophenyl)prop-2-enoic acid
CID 10913942
2-benzamido-3-(4-cyanophenyl)prop-2-enoic acid
CID 4769146
(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 22148195
(E)-2-benzamido-3-[4-(2,5-difluorophenoxy)phenyl]prop-2-enoic acid
CID 22148069
(E)-2-[(4-fluorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid
CID 22148060
2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid
CID 744037
(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate
CID 2279163
N-[(Z)-1-(4-chlorophenyl)-3-(4-fluoroanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 53329743
(E)-2-acetamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 5399285
N-[(E)-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5435556

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid?
The IUPAC name of 2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid (CID 761263) is 2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid.
What is the SMILES notation for 2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid?
The canonical SMILES for 2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid is O=C(O)C(=Cc1ccc(F)cc1)NC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid?
The InChIKey is WCKFORMNIXDMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-13-8-6-11(7-9-13)10-14(16(20)21)18-15(19)12-4-2-1-3-5-12/h1-10H,(H,18,19)(H,20,21).
What are the key properties of 2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid?
2-benzamido-3-(4-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-(4-fluorophenyl)prop-2-enoic acid is sourced from PubChem (CID 761263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).