N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide

C12H14ClN3O — CID 79196264

IUPACN-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C12H14ClN3O/c1-8(7-15-2)12(17)16-10-3-4-11(13)9(5-10)6-14/h3-5,8,15H,7H2,1-2H3,(H,16,17)
InChIKeyNINKJNJFXKACMS-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.01
Rot. Bonds4

About N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide

N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 79196264) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID79196264
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C12H14ClN3O/c1-8(7-15-2)12(17)16-10-3-4-11(13)9(5-10)6-14/h3-5,8,15H,7H2,1-2H3,(H,16,17)
InChIKeyNINKJNJFXKACMS-UHFFFAOYSA-N
XLogP2.01
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide 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-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide
CID 107790450
2-amino-N-(4-chloro-3-cyanophenyl)propanamide
CID 43703829
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79195599
(2S)-2-amino-N-(4-chloro-3-cyanophenyl)-4-methylsulfanylbutanamide
CID 61179812
N-[1-(4-chloro-3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 47941338
2-chloro-5-(2-methylpropylamino)benzonitrile
CID 43686844
2-(4-chloro-3-cyanoanilino)propanoic acid
CID 66173106
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119715596
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119679906

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide (CID 79196264) is N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccc(Cl)c(C#N)c1.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is NINKJNJFXKACMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8(7-15-2)12(17)16-10-3-4-11(13)9(5-10)6-14/h3-5,8,15H,7H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide?
N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 251.72 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79196264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).