N-(2-chlorophenyl)-N-methylbutanamide

C11H14ClNO — CID 12936039

IUPACN-(2-chlorophenyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO/c1-3-6-11(14)13(2)10-8-5-4-7-9(10)12/h4-5,7-8H,3,6H2,1-2H3
InChIKeyWFDSFMDHFFYWII-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.10
Rot. Bonds3

About N-(2-chlorophenyl)-N-methylbutanamide

N-(2-chlorophenyl)-N-methylbutanamide (PubChem CID 12936039) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-methylbutanamide
PubChem CID12936039
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-(2-chlorophenyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO/c1-3-6-11(14)13(2)10-8-5-4-7-9(10)12/h4-5,7-8H,3,6H2,1-2H3
InChIKeyWFDSFMDHFFYWII-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66744923
S-chloro N-(2-chlorophenyl)-N-methylcarbamothioate
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3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222
N-(2-fluorophenyl)-N-methylpentanamide
CID 174907677
3-(N-butanoyl-2,3-dichloroanilino)propanoic acid
CID 82320766
N-(2-iodophenyl)-N-methylpropanamide
CID 15063897
N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
CID 175323632
N-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20851563
3-amino-N-methyl-N-(2-methylphenyl)propanamide
CID 28794972
benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
CID 175323631
N-(2-chlorophenyl)-N-methylhydroxylamine
CID 87898260
(4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide
CID 134479472

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-methylbutanamide?
The IUPAC name of N-(2-chlorophenyl)-N-methylbutanamide (CID 12936039) is N-(2-chlorophenyl)-N-methylbutanamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-methylbutanamide?
The canonical SMILES for N-(2-chlorophenyl)-N-methylbutanamide is CCCC(=O)N(C)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-methylbutanamide?
The InChIKey is WFDSFMDHFFYWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-6-11(14)13(2)10-8-5-4-7-9(10)12/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of N-(2-chlorophenyl)-N-methylbutanamide?
N-(2-chlorophenyl)-N-methylbutanamide has a molecular weight of 211.69 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-methylbutanamide is sourced from PubChem (CID 12936039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).