2-(2-chloro-4-methylanilino)-N-methylpropanamide

C11H15ClN2O — CID 43085457

IUPAC2-(2-chloro-4-methylanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ccc(C)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-7-4-5-10(9(12)6-7)14-8(2)11(15)13-3/h4-6,8,14H,1-3H3,(H,13,15)
InChIKeyNSGAOSVRHXVAEJ-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.19
Rot. Bonds3

About 2-(2-chloro-4-methylanilino)-N-methylpropanamide

2-(2-chloro-4-methylanilino)-N-methylpropanamide (PubChem CID 43085457) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-N-methylpropanamide
PubChem CID43085457
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-(2-chloro-4-methylanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ccc(C)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-7-4-5-10(9(12)6-7)14-8(2)11(15)13-3/h4-6,8,14H,1-3H3,(H,13,15)
InChIKeyNSGAOSVRHXVAEJ-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichloroanilino)-N-methylpropanamide
CID 18321698
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide
CID 2475002
3-(2-chloro-4-methylanilino)-N-methylbutanamide
CID 115929890
N-methyl-2-(2,4,5-trichloroanilino)propanamide
CID 43116604
2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide
CID 107606620
2-chloro-4-methyl-N-propan-2-ylaniline
CID 28876969
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
2-(2-chloro-5-fluoroanilino)-N-methylpropanamide
CID 107528161
2-(2,4-dimethylanilino)propanehydrazide
CID 23861884
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-N-methylpropanamide?
The IUPAC name of 2-(2-chloro-4-methylanilino)-N-methylpropanamide (CID 43085457) is 2-(2-chloro-4-methylanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-N-methylpropanamide?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-N-methylpropanamide is CNC(=O)C(C)Nc1ccc(C)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-N-methylpropanamide?
The InChIKey is NSGAOSVRHXVAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7-4-5-10(9(12)6-7)14-8(2)11(15)13-3/h4-6,8,14H,1-3H3,(H,13,15).
What are the key properties of 2-(2-chloro-4-methylanilino)-N-methylpropanamide?
2-(2-chloro-4-methylanilino)-N-methylpropanamide has a molecular weight of 226.71 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-N-methylpropanamide is sourced from PubChem (CID 43085457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).