2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide

C14H21ClN2O — CID 55024264

IUPAC2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(2)8-17-14(18)11(3)16-9-12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyOHOLBRHLTLEPBR-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.59
Rot. Bonds6

About 2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide

2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 55024264) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
PubChem CID55024264
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(2)8-17-14(18)11(3)16-9-12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyOHOLBRHLTLEPBR-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)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

2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 60734142
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43087745
(2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide
CID 2608999
(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 94613388
2-[(3-cyano-4-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 107880417
1-(azepan-1-yl)-2-[(3-chlorophenyl)methylamino]propan-1-one
CID 60677398
N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 115591536
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119127733

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide (CID 55024264) is 2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is OHOLBRHLTLEPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(2)8-17-14(18)11(3)16-9-12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide?
2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 268.79 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 55024264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).