N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide

C14H20ClNO — CID 121446658

IUPACN-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-5-14(2,3)13(17)16(4)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3
InChIKeyKOKPHIZJGRODND-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.73
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide

N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide (PubChem CID 121446658) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide
PubChem CID121446658
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-5-14(2,3)13(17)16(4)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3
InChIKeyKOKPHIZJGRODND-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide 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-butyl-4-chloro-N-ethylbenzamide
CID 2164652
N-(2-chlorobenzyl)butanamide
CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
1-[(2-Chlorophenyl)methyl]-4-methylpyridin-2-one
CID 53627066
1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742520
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
N-(4-chlorobenzyl)-2-ethylbutanamide
CID 882084
N-benzyl-N,2,2-trimethylbutanamide
CID 4634732
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4961955
N-[(2-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446659
N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446782
N-[(4-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446902

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide (CID 121446658) is N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide?
The InChIKey is KOKPHIZJGRODND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-5-14(2,3)13(17)16(4)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide?
N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide has a molecular weight of 253.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 121446658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).