3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide

C15H22ClNO2 — CID 61246362

IUPAC3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-11(2)9-13(10-18)17-15(19)8-7-12-5-3-4-6-14(12)16/h3-6,11,13,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyDLPJEDXRVYKRAB-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.80
Rot. Bonds7

About 3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide

3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (PubChem CID 61246362) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
PubChem CID61246362
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-11(2)9-13(10-18)17-15(19)8-7-12-5-3-4-6-14(12)16/h3-6,11,13,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyDLPJEDXRVYKRAB-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 107272981
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid
CID 80750195
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
CID 110833172
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methylbutanoic acid
CID 79011146
N-(1-bromo-4-methylpentan-2-yl)-3-(2-methylphenyl)propanamide
CID 113274924
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568
2-(2-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920161
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
CID 61246212
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
CID 61246616
1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247057
N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
CID 110902772

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (CID 61246362) is 3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is CC(C)CC(CO)NC(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The InChIKey is DLPJEDXRVYKRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(2)9-13(10-18)17-15(19)8-7-12-5-3-4-6-14(12)16/h3-6,11,13,18H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide has a molecular weight of 283.80 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is sourced from PubChem (CID 61246362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).