N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide

C25H23ClN2O — CID 68819108

IUPACN-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(CNC2CC2)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClN2O/c26-22-10-6-20(7-11-22)21-8-12-24(13-9-21)28-25(29)16-5-18-1-3-19(4-2-18)17-27-23-14-15-23/h1-13,16,23,27H,14-15,17H2,(H,28,29)
InChIKeyXRBAKJKGVSDVCO-UHFFFAOYSA-N
MW402.93 g/mol
LogP5.91
Rot. Bonds7

About N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide

N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide (PubChem CID 68819108) has the molecular formula C25H23ClN2O and a molecular weight of 402.93 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide
PubChem CID68819108
Molecular FormulaC25H23ClN2O
Molecular Weight402.93 g/mol
Exact Mass402.15
IUPAC NameN-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(CNC2CC2)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClN2O/c26-22-10-6-20(7-11-22)21-8-12-24(13-9-21)28-25(29)16-5-18-1-3-19(4-2-18)17-27-23-14-15-23/h1-13,16,23,27H,14-15,17H2,(H,28,29)
InChIKeyXRBAKJKGVSDVCO-UHFFFAOYSA-N
XLogP5.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-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

3-[4-[[(1-acetylpiperidin-4-yl)-methylamino]methyl]phenyl]-N-[4-(4-chlorophenyl)phenyl]prop-2-enamide
CID 76581252
3-(4-chlorophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 925582
(E)-3-[4-(8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-N-[4-(4-chlorophenyl)phenyl]prop-2-enamide
CID 68816858
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide
CID 76948159
N-(4-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4090425
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
(E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide
CID 68819697
3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493876
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-chlorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide
CID 28677694
N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
CID 55573881

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide (CID 68819108) is N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide is O=C(C=Cc1ccc(CNC2CC2)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide?
The InChIKey is XRBAKJKGVSDVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O/c26-22-10-6-20(7-11-22)21-8-12-24(13-9-21)28-25(29)16-5-18-1-3-19(4-2-18)17-27-23-14-15-23/h1-13,16,23,27H,14-15,17H2,(H,28,29).
What are the key properties of N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide?
N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide has a molecular weight of 402.93 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 68819108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).