2-amino-N-(4-chlorophenyl)-3-methylbutanamide

C11H15ClN2O — CID 18994324

IUPAC2-amino-N-(4-chlorophenyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-7(2)10(13)11(15)14-9-5-3-8(12)4-6-9/h3-7,10H,13H2,1-2H3,(H,14,15)
InChIKeyNLABPYBEJGJKMK-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.26
Rot. Bonds3

About 2-amino-N-(4-chlorophenyl)-3-methylbutanamide

2-amino-N-(4-chlorophenyl)-3-methylbutanamide (PubChem CID 18994324) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-amino-N-(4-chlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(4-chlorophenyl)-3-methylbutanamide
PubChem CID18994324
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-amino-N-(4-chlorophenyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-7(2)10(13)11(15)14-9-5-3-8(12)4-6-9/h3-7,10H,13H2,1-2H3,(H,14,15)
InChIKeyNLABPYBEJGJKMK-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide
CID 43708823
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide
CID 79011407
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide
CID 104778265
2-amino-3-methyl-N-(4-propylphenyl)butanamide
CID 43378687

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chlorophenyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(4-chlorophenyl)-3-methylbutanamide (CID 18994324) is 2-amino-N-(4-chlorophenyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(4-chlorophenyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(4-chlorophenyl)-3-methylbutanamide is CC(C)C(N)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-(4-chlorophenyl)-3-methylbutanamide?
The InChIKey is NLABPYBEJGJKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7(2)10(13)11(15)14-9-5-3-8(12)4-6-9/h3-7,10H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(4-chlorophenyl)-3-methylbutanamide?
2-amino-N-(4-chlorophenyl)-3-methylbutanamide has a molecular weight of 226.71 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 18994324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).