2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide

C12H16ClNO2 — CID 110437674

IUPAC2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCCO)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-12(2,11(16)14-6-7-15)9-4-3-5-10(13)8-9/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyOVGYPUQAEYKGJZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.73
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide

2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide (PubChem CID 110437674) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
PubChem CID110437674
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCCO)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-12(2,11(16)14-6-7-15)9-4-3-5-10(13)8-9/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyOVGYPUQAEYKGJZ-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
2-(3-chlorophenyl)-N-(3-ethoxypropyl)-2-methylpropanamide
CID 110437667
2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 110437684
2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 110437648
2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 110437686
2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 110437654
2-(3-chlorophenyl)-2-methyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555390
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 71848431
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
5-[[[2-(3-chlorophenyl)-2-methylpropanoyl]amino]methyl]furan-2-carboxylic acid
CID 119245730
2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide
CID 75372511
N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 110487743

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide (CID 110437674) is 2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide is CC(C)(C(=O)NCCO)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide?
The InChIKey is OVGYPUQAEYKGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-12(2,11(16)14-6-7-15)9-4-3-5-10(13)8-9/h3-5,8,15H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide?
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide is sourced from PubChem (CID 110437674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).