2-(3-chloroanilino)-2,4-dimethylpentanamide

C13H19ClN2O — CID 54892158

IUPAC2-(3-chloroanilino)-2,4-dimethylpentanamide
SMILESCC(C)CC(C)(Nc1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C13H19ClN2O/c1-9(2)8-13(3,12(15)17)16-11-6-4-5-10(14)7-11/h4-7,9,16H,8H2,1-3H3,(H2,15,17)
InChIKeyJIIUSCBBKUSQHE-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.04
Rot. Bonds5

About 2-(3-chloroanilino)-2,4-dimethylpentanamide

2-(3-chloroanilino)-2,4-dimethylpentanamide (PubChem CID 54892158) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-2,4-dimethylpentanamide
PubChem CID54892158
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(3-chloroanilino)-2,4-dimethylpentanamide
SMILESCC(C)CC(C)(Nc1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C13H19ClN2O/c1-9(2)8-13(3,12(15)17)16-11-6-4-5-10(14)7-11/h4-7,9,16H,8H2,1-3H3,(H2,15,17)
InChIKeyJIIUSCBBKUSQHE-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-4,4-dimethoxy-2-methylbutanamide
CID 66180621
2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
methyl 2-(3-chloroanilino)-2-methylbutanoate
CID 60990615
2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60996840
(2R)-2-(3-chloroanilino)propanamide;hydrochloride
CID 164755970
3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide
CID 62647702
2-(2-methoxyanilino)-2,4-dimethylpentanamide
CID 54892038
ethyl 2-(3-chloroanilino)-2-ethyl-4-methylhexanoate
CID 63526029
2-amino-3-(3-chloroanilino)propanoic acid
CID 103234190
2-(3-chloroanilino)-2-(2,4-difluorophenyl)propanamide
CID 60996710
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
1-(3-chloroanilino)propan-2-one
CID 21364413

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2,4-dimethylpentanamide?
The IUPAC name of 2-(3-chloroanilino)-2,4-dimethylpentanamide (CID 54892158) is 2-(3-chloroanilino)-2,4-dimethylpentanamide.
What is the SMILES notation for 2-(3-chloroanilino)-2,4-dimethylpentanamide?
The canonical SMILES for 2-(3-chloroanilino)-2,4-dimethylpentanamide is CC(C)CC(C)(Nc1cccc(Cl)c1)C(N)=O.
What is the InChIKey of 2-(3-chloroanilino)-2,4-dimethylpentanamide?
The InChIKey is JIIUSCBBKUSQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(2)8-13(3,12(15)17)16-11-6-4-5-10(14)7-11/h4-7,9,16H,8H2,1-3H3,(H2,15,17).
What are the key properties of 2-(3-chloroanilino)-2,4-dimethylpentanamide?
2-(3-chloroanilino)-2,4-dimethylpentanamide has a molecular weight of 254.76 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2,4-dimethylpentanamide is sourced from PubChem (CID 54892158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).