3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide

C18H18ClNO — CID 2931567

IUPAC3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCCCc1ccccc1
InChIInChI=1S/C18H18ClNO/c19-17-11-8-16(9-12-17)10-13-18(21)20-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-13H,4,7,14H2,(H,20,21)
InChIKeyYFUKPDALNSWRQG-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.10
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide

3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide (PubChem CID 2931567) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
PubChem CID2931567
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCCCc1ccccc1
InChIInChI=1S/C18H18ClNO/c19-17-11-8-16(9-12-17)10-13-18(21)20-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-13H,4,7,14H2,(H,20,21)
InChIKeyYFUKPDALNSWRQG-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-N-(3-phenylpropyl)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

(E)-3-(4-chlorophenyl)-N-[3-(4-fluorophenyl)propyl]prop-2-enamide
CID 99998398
(E)-3-(4-tert-butylphenyl)-N-[3-(4-chlorophenyl)propyl]prop-2-enamide
CID 99998129
(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 6278792
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide
CID 110300693
3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 3702491
(E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 127031291
3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 4810838
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6077577

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide (CID 2931567) is 3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)NCCCc1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
The InChIKey is YFUKPDALNSWRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c19-17-11-8-16(9-12-17)10-13-18(21)20-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-13H,4,7,14H2,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide has a molecular weight of 299.80 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 2931567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).