N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide

C14H18ClNO — CID 55110663

IUPACN-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
SMILESCC(CCl)C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H18ClNO/c1-11(9-15)14(17)16(13-7-8-13)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyOJVUEIJLFSYSTD-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.05
Rot. Bonds5

About N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide

N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide (PubChem CID 55110663) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
PubChem CID55110663
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC NameN-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
SMILESCC(CCl)C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H18ClNO/c1-11(9-15)14(17)16(13-7-8-13)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyOJVUEIJLFSYSTD-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide 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-benzyl-2-bromo-N-cyclopropylbutanamide
CID 62856125
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
(2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 97157102
1-benzyl-1-cyclopropyl-3-ethylurea
CID 127578302
2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide
CID 107471215
4-[(4-chlorophenyl)methyl-cyclopropylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497654
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 80543130
N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide?
The IUPAC name of N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide (CID 55110663) is N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide.
What is the SMILES notation for N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide?
The canonical SMILES for N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide is CC(CCl)C(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide?
The InChIKey is OJVUEIJLFSYSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-11(9-15)14(17)16(13-7-8-13)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide?
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide has a molecular weight of 251.76 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide is sourced from PubChem (CID 55110663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).