N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide

C16H24ClNO — CID 18736065

IUPACN-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide
SMILESCCCCN(C(=O)CC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-5-6-11-18(15(19)12-16(2,3)4)14-10-8-7-9-13(14)17/h7-10H,5-6,11-12H2,1-4H3
InChIKeyLCQOACYIFUGLDR-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.91
Rot. Bonds5

About N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide

N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide (PubChem CID 18736065) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide
PubChem CID18736065
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide
SMILESCCCCN(C(=O)CC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-5-6-11-18(15(19)12-16(2,3)4)14-10-8-7-9-13(14)17/h7-10H,5-6,11-12H2,1-4H3
InChIKeyLCQOACYIFUGLDR-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide
CID 18735896
N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide
CID 18736125
N-butyl-N-[3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 18736126
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
N-butyl-N-(2-chlorophenyl)nitrous amide
CID 154147986
3-(N-butyl-2-chloroanilino)-2-methylpropanoic acid
CID 82318030
N-butyl-3,3-dimethyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 18736042
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
N-(2-chlorophenyl)-N-methylbutanamide
CID 12936039
1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea
CID 134871496
2-chloro-N,N-dihexylaniline
CID 139723528
2-[butyl(carboxy)amino]benzoic acid
CID 69470205

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide (CID 18736065) is N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide is CCCCN(C(=O)CC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide?
The InChIKey is LCQOACYIFUGLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-5-6-11-18(15(19)12-16(2,3)4)14-10-8-7-9-13(14)17/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide?
N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide has a molecular weight of 281.83 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 18736065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).