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

C16H24ClNO — CID 71106740

IUPACN-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide
SMILESCCCCN(C(=O)C(C)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-5-6-10-18(16(19)13(4)12(2)3)15-9-7-8-14(17)11-15/h7-9,11-13H,5-6,10H2,1-4H3
InChIKeyBRHKAHCXGJFRIP-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.77
Rot. Bonds6

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

N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide (PubChem CID 71106740) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide
PubChem CID71106740
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide
SMILESCCCCN(C(=O)C(C)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-5-6-10-18(16(19)13(4)12(2)3)15-9-7-8-14(17)11-15/h7-9,11-13H,5-6,10H2,1-4H3
InChIKeyBRHKAHCXGJFRIP-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-N-(3-chlorophenyl)-2-methylpropanamide
CID 18736118
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid
CID 61186137
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
N-(3-chlorophenyl)-N-heptan-2-yl-2-methylbutanamide
CID 71107165
N-butyl-3-chloro-N-phenylaniline
CID 23348476
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
3-bromopropyl-(3-chlorophenyl)carbamic acid
CID 57372411
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
N-(3-chlorophenyl)-N-heptan-4-yl-2-methylbutanamide
CID 71107318
N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54690848
S-ethyl N-(chloromethyl)-N-(3-chlorophenyl)carbamothioate
CID 154155907

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide?
The IUPAC name of N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide (CID 71106740) is N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide.
What is the SMILES notation for N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide?
The canonical SMILES for N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide is CCCCN(C(=O)C(C)C(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide?
The InChIKey is BRHKAHCXGJFRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-5-6-10-18(16(19)13(4)12(2)3)15-9-7-8-14(17)11-15/h7-9,11-13H,5-6,10H2,1-4H3.
What are the key properties of N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide?
N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide has a molecular weight of 281.83 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide is sourced from PubChem (CID 71106740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).