3-(2-chloroanilino)-N-methylbutanamide

C11H15ClN2O — CID 115928184

IUPAC3-(2-chloroanilino)-N-methylbutanamide
SMILESCNC(=O)CC(C)Nc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8(7-11(15)13-2)14-10-6-4-3-5-9(10)12/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyOFPURCWWFBQYPJ-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.28
Rot. Bonds4

About 3-(2-chloroanilino)-N-methylbutanamide

3-(2-chloroanilino)-N-methylbutanamide (PubChem CID 115928184) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-(2-chloroanilino)-N-methylbutanamide.

Molecular Properties

Compound Name3-(2-chloroanilino)-N-methylbutanamide
PubChem CID115928184
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-(2-chloroanilino)-N-methylbutanamide
SMILESCNC(=O)CC(C)Nc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8(7-11(15)13-2)14-10-6-4-3-5-9(10)12/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyOFPURCWWFBQYPJ-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4-methylanilino)-N-methylbutanamide
CID 115929890
N-methyl-3-(pyridin-2-ylamino)butanamide
CID 126986948
3-(2,3-dichloroanilino)butanamide
CID 82086378
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide
CID 66430780
2-(2-chloroanilino)-N-prop-2-ynylpropanamide
CID 43113364
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
(2S)-2-(2-chlorophenyl)-4-(methylamino)-4-oxobutanoic acid
CID 94687943
methyl 3-(3-chloro-2-methylanilino)butanoate
CID 43536622
N-tert-butyl-3-(2-chloroanilino)-3-cyanopropanamide
CID 66431238
2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570006
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroanilino)-N-methylbutanamide?
The IUPAC name of 3-(2-chloroanilino)-N-methylbutanamide (CID 115928184) is 3-(2-chloroanilino)-N-methylbutanamide.
What is the SMILES notation for 3-(2-chloroanilino)-N-methylbutanamide?
The canonical SMILES for 3-(2-chloroanilino)-N-methylbutanamide is CNC(=O)CC(C)Nc1ccccc1Cl.
What is the InChIKey of 3-(2-chloroanilino)-N-methylbutanamide?
The InChIKey is OFPURCWWFBQYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8(7-11(15)13-2)14-10-6-4-3-5-9(10)12/h3-6,8,14H,7H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-chloroanilino)-N-methylbutanamide?
3-(2-chloroanilino)-N-methylbutanamide has a molecular weight of 226.71 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroanilino)-N-methylbutanamide is sourced from PubChem (CID 115928184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).