N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide

C13H16ClNO — CID 166291370

IUPACN-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CC)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO/c1-4-12(15-13(16)9(2)3)10-5-7-11(14)8-6-10/h5-8,12H,2,4H2,1,3H3,(H,15,16)
InChIKeyDEHWNGJFBVXEQB-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.48
Rot. Bonds4

About N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide

N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide (PubChem CID 166291370) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide
PubChem CID166291370
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CC)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO/c1-4-12(15-13(16)9(2)3)10-5-7-11(14)8-6-10/h5-8,12H,2,4H2,1,3H3,(H,15,16)
InChIKeyDEHWNGJFBVXEQB-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(4-chlorophenyl)propyl]-2-methylprop-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

2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
4-[1-(4-chlorophenyl)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497036
(E)-4-[1-(4-chlorophenyl)propylamino]-4-oxobut-2-enoic acid
CID 54867988
5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide
CID 104683907
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384
3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 64685809
2-(4-acetamidophenyl)-N-[(1R)-1-(4-chlorophenyl)propyl]acetamide
CID 42138957
2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 65225138
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide (CID 166291370) is N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(CC)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide?
The InChIKey is DEHWNGJFBVXEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-4-12(15-13(16)9(2)3)10-5-7-11(14)8-6-10/h5-8,12H,2,4H2,1,3H3,(H,15,16).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide?
N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide has a molecular weight of 237.73 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 166291370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).