2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide

C16H22ClNO2 — CID 14739989

IUPAC2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(c1cccc(Cl)c1)C1(O)CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-18(2)15(19)14(12-7-6-8-13(17)11-12)16(20)9-4-3-5-10-16/h6-8,11,14,20H,3-5,9-10H2,1-2H3
InChIKeyXUPDNVGCSWXJQY-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.21
Rot. Bonds3

About 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide

2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide (PubChem CID 14739989) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide
PubChem CID14739989
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(c1cccc(Cl)c1)C1(O)CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-18(2)15(19)14(12-7-6-8-13(17)11-12)16(20)9-4-3-5-10-16/h6-8,11,14,20H,3-5,9-10H2,1-2H3
InChIKeyXUPDNVGCSWXJQY-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 68853928
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
CID 91204468
1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol
CID 121281370
tert-butyl N-[(3S)-1-[(2S)-2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]carbamate
CID 86599053
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
butyl N-[(3R)-1-[2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]carbamate
CID 154120762
(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 129386467
2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 141116352
2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid
CID 119346309
1-[1-(3-chlorophenyl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437923
2-(1-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 70447762
1-[1-(3-chlorophenyl)-2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]ethyl]cyclohexan-1-ol
CID 11314118

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide (CID 14739989) is 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide is CN(C)C(=O)C(c1cccc(Cl)c1)C1(O)CCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide?
The InChIKey is XUPDNVGCSWXJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-18(2)15(19)14(12-7-6-8-13(17)11-12)16(20)9-4-3-5-10-16/h6-8,11,14,20H,3-5,9-10H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide?
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide has a molecular weight of 295.81 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide is sourced from PubChem (CID 14739989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).