(E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide

C32H29FN2O2 — CID 46046272

IUPAC(E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
SMILESO=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)/C=C/c2ccccc2)cc1)NCCc1ccccc1
InChIInChI=1S/C32H29FN2O2/c33-29-13-7-12-28(22-29)24-35(32(37)19-16-25-8-3-1-4-9-25)30-17-14-27(15-18-30)23-31(36)34-21-20-26-10-5-2-6-11-26/h1-19,22H,20-21,23-24H2,(H,34,36)/b19-16+
InChIKeySXVIDUNBAXIVGF-KNTRCKAVSA-N
MW492.59 g/mol
LogP5.97
Rot. Bonds10

About (E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide

(E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 46046272) has the molecular formula C32H29FN2O2 and a molecular weight of 492.59 g/mol. Its IUPAC name is (E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
PubChem CID46046272
Molecular FormulaC32H29FN2O2
Molecular Weight492.59 g/mol
Exact Mass492.22
IUPAC Name(E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
SMILESO=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)/C=C/c2ccccc2)cc1)NCCc1ccccc1
InChIInChI=1S/C32H29FN2O2/c33-29-13-7-12-28(22-29)24-35(32(37)19-16-25-8-3-1-4-9-25)30-17-14-27(15-18-30)23-31(36)34-21-20-26-10-5-2-6-11-26/h1-19,22H,20-21,23-24H2,(H,34,36)/b19-16+
InChIKeySXVIDUNBAXIVGF-KNTRCKAVSA-N
XLogP5.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide 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

N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 71958009
(E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46046274
(E)-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 46052629
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 71957751
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 71957999
(E)-N-[(4-fluorophenyl)methyl]-N-[3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 42859511
N-benzyl-N-[3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 71957937
(E)-N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 46052734
N-benzyl-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 71957748
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide (CID 46046272) is (E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide is O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)/C=C/c2ccccc2)cc1)NCCc1ccccc1.
What is the InChIKey of (E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is SXVIDUNBAXIVGF-KNTRCKAVSA-N. The full InChI is InChI=1S/C32H29FN2O2/c33-29-13-7-12-28(22-29)24-35(32(37)19-16-25-8-3-1-4-9-25)30-17-14-27(15-18-30)23-31(36)34-21-20-26-10-5-2-6-11-26/h1-19,22H,20-21,23-24H2,(H,34,36)/b19-16+.
What are the key properties of (E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide?
(E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 492.59 g/mol, XLogP of 5.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 46046272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).