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

C11H14ClNO2 — CID 117059282

IUPACN-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
SMILESCC(C)C(O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-7(2)10(14)11(15)13-9-5-3-8(12)4-6-9/h3-7,10,14H,1-2H3,(H,13,15)
InChIKeyIWJMNRXTXKTYDY-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.30
Rot. Bonds3

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

N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide (PubChem CID 117059282) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
PubChem CID117059282
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
SMILESCC(C)C(O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-7(2)10(14)11(15)13-9-5-3-8(12)4-6-9/h3-7,10,14H,1-2H3,(H,13,15)
InChIKeyIWJMNRXTXKTYDY-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197
2-chloro-N-(4-chlorophenyl)-3-oxobutanamide
CID 2778503
N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide
CID 19603082
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
CID 124732754
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
3-chloro-N-(4-chlorophenyl)butanamide
CID 10681053
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782489
(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319058
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide?
The IUPAC name of N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide (CID 117059282) is N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide is CC(C)C(O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide?
The InChIKey is IWJMNRXTXKTYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7(2)10(14)11(15)13-9-5-3-8(12)4-6-9/h3-7,10,14H,1-2H3,(H,13,15).
What are the key properties of N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide?
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide has a molecular weight of 227.69 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 117059282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).