N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide

C25H24FN3O — CID 59575560

IUPACN-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(/C=C(/CNC2CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H24FN3O/c26-21-11-9-18(10-12-21)20(16-28-22-13-14-22)15-17-5-7-19(8-6-17)25(30)29-24-4-2-1-3-23(24)27/h1-12,15,22,28H,13-14,16,27H2,(H,29,30)/b20-15-
InChIKeyUECNKHYAJZBALW-HKWRFOASSA-N
MW401.49 g/mol
LogP4.95
Rot. Bonds7

About N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide

N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide (PubChem CID 59575560) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide
PubChem CID59575560
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC NameN-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(/C=C(/CNC2CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H24FN3O/c26-21-11-9-18(10-12-21)20(16-28-22-13-14-22)15-17-5-7-19(8-6-17)25(30)29-24-4-2-1-3-23(24)27/h1-12,15,22,28H,13-14,16,27H2,(H,29,30)/b20-15-
InChIKeyUECNKHYAJZBALW-HKWRFOASSA-N
XLogP4.95
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide 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-(2-aminophenyl)-4-[(Z)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide
CID 68769109
N-(2-aminophenyl)-4-methylbenzamide;(E)-3-(4-fluorophenyl)-2-phenylprop-2-enamide
CID 143788196
N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide
CID 68769130
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 143788229
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
N-(2-aminophenyl)-4-[3-(benzylamino)-2-(4-fluorophenyl)-3-oxo-1-tritioprop-1-enyl]benzamide
CID 87445597
N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
CID 141088053
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide
CID 68978674
N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
CID 39192988
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide (CID 59575560) is N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide is Nc1ccccc1NC(=O)c1ccc(/C=C(/CNC2CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide?
The InChIKey is UECNKHYAJZBALW-HKWRFOASSA-N. The full InChI is InChI=1S/C25H24FN3O/c26-21-11-9-18(10-12-21)20(16-28-22-13-14-22)15-17-5-7-19(8-6-17)25(30)29-24-4-2-1-3-23(24)27/h1-12,15,22,28H,13-14,16,27H2,(H,29,30)/b20-15-.
What are the key properties of N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide?
N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide is sourced from PubChem (CID 59575560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).