2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide

C14H21ClN2O — CID 60654107

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-10(2)17-14(18)11(3)16-9-8-12-4-6-13(15)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyJMHIADBZVCRLFI-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.39
Rot. Bonds6

About 2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide

2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide (PubChem CID 60654107) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide
PubChem CID60654107
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-10(2)17-14(18)11(3)16-9-8-12-4-6-13(15)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyJMHIADBZVCRLFI-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide 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-[2-(3-fluorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 43401436
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406685
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100680950
2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 132650421
2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406683
propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22856211
1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol
CID 121016044
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74645871
1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol
CID 141296655
5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide (CID 60654107) is 2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide?
The InChIKey is JMHIADBZVCRLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(2)17-14(18)11(3)16-9-8-12-4-6-13(15)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide?
2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide has a molecular weight of 268.79 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 60654107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).