2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide

C12H16ClNO2 — CID 115765069

IUPAC2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCC(CO)N(C)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(8-15)14(2)12(16)7-10-3-5-11(13)6-4-10/h3-6,9,15H,7-8H2,1-2H3
InChIKeyOZECJJHOPWLMPC-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.72
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide

2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide (PubChem CID 115765069) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
PubChem CID115765069
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCC(CO)N(C)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(8-15)14(2)12(16)7-10-3-5-11(13)6-4-10/h3-6,9,15H,7-8H2,1-2H3
InChIKeyOZECJJHOPWLMPC-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115869468
2-(4-carbamothioylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551988
N-(1-hydroxypropan-2-yl)-N-methyl-2-naphthalen-2-ylacetamide
CID 115765000
2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704720
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide
CID 76928325
2-(2,3-dihydro-1H-inden-5-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112548127
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388558
N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 80666327
N-(1-chloropropan-2-yl)-2-(3,4-difluorophenyl)-N-methylacetamide
CID 104555783
N-(1-hydroxypropan-2-yl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 113337596
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide
CID 55583785

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide (CID 115765069) is 2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide is CC(CO)N(C)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The InChIKey is OZECJJHOPWLMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(8-15)14(2)12(16)7-10-3-5-11(13)6-4-10/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide has a molecular weight of 241.72 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 115765069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).