N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C18H18ClNO — CID 763457

IUPACN-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(C=CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO/c1-13(2)15-6-3-14(4-7-15)5-12-18(21)20-17-10-8-16(19)9-11-17/h3-13H,1-2H3,(H,20,21)
InChIKeyIRYPQYFQVZLXPZ-UHFFFAOYSA-N
MW299.80 g/mol
LogP5.12
Rot. Bonds4

About N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 763457) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID763457
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC NameN-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(C=CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO/c1-13(2)15-6-3-14(4-7-15)5-12-18(21)20-17-10-8-16(19)9-11-17/h3-13H,1-2H3,(H,20,21)
InChIKeyIRYPQYFQVZLXPZ-UHFFFAOYSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.80
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)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)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22305599
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
(E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide
CID 68819697
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
(E)-3-[4-(methylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 25391728
N-[4-(acetylcarbamothioylamino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5121311
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
(E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 47034219

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 763457) is N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(C=CC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is IRYPQYFQVZLXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-13(2)15-6-3-14(4-7-15)5-12-18(21)20-17-10-8-16(19)9-11-17/h3-13H,1-2H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 299.80 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 763457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).