2-(2-chloroanilino)-4-methoxy-3-methylbutanamide

C12H17ClN2O2 — CID 116501929

IUPAC2-(2-chloroanilino)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)C(Nc1ccccc1Cl)C(N)=O
InChIInChI=1S/C12H17ClN2O2/c1-8(7-17-2)11(12(14)16)15-10-6-4-3-5-9(10)13/h3-6,8,11,15H,7H2,1-2H3,(H2,14,16)
InChIKeyZVJMPXCHCHUUAQ-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.89
Rot. Bonds6

About 2-(2-chloroanilino)-4-methoxy-3-methylbutanamide

2-(2-chloroanilino)-4-methoxy-3-methylbutanamide (PubChem CID 116501929) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(2-chloroanilino)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-4-methoxy-3-methylbutanamide
PubChem CID116501929
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-(2-chloroanilino)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)C(Nc1ccccc1Cl)C(N)=O
InChIInChI=1S/C12H17ClN2O2/c1-8(7-17-2)11(12(14)16)15-10-6-4-3-5-9(10)13/h3-6,8,11,15H,7H2,1-2H3,(H2,14,16)
InChIKeyZVJMPXCHCHUUAQ-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-chlorophenyl)-4-methoxy-3-methylbutane-1,2-diamine
CID 116501809
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61005849
2-(2-chloroanilino)-2-(2-ethylphenyl)acetamide
CID 62416652
ethyl 4-amino-3-(2-chloroanilino)-4-oxobutanoate
CID 66430916
2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine
CID 65379401
methyl 2-(4-chloroanilino)-4-methoxy-3-methylbutanoate
CID 116502045
methyl 2-(2-amino-3-chloroanilino)-3-methylbutanoate
CID 104834363
2-(2,3-dimethylanilino)-3-methylpentanamide
CID 174388293
2-(2-chloroanilino)-2-(2-chlorophenyl)acetamide
CID 54892395
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051
ethyl 2-(2-chloroanilino)-3-methylbut-3-enoate
CID 114784506

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-4-methoxy-3-methylbutanamide?
The IUPAC name of 2-(2-chloroanilino)-4-methoxy-3-methylbutanamide (CID 116501929) is 2-(2-chloroanilino)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for 2-(2-chloroanilino)-4-methoxy-3-methylbutanamide?
The canonical SMILES for 2-(2-chloroanilino)-4-methoxy-3-methylbutanamide is COCC(C)C(Nc1ccccc1Cl)C(N)=O.
What is the InChIKey of 2-(2-chloroanilino)-4-methoxy-3-methylbutanamide?
The InChIKey is ZVJMPXCHCHUUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(7-17-2)11(12(14)16)15-10-6-4-3-5-9(10)13/h3-6,8,11,15H,7H2,1-2H3,(H2,14,16).
What are the key properties of 2-(2-chloroanilino)-4-methoxy-3-methylbutanamide?
2-(2-chloroanilino)-4-methoxy-3-methylbutanamide has a molecular weight of 256.73 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 116501929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).