2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

C16H21Cl2NO2 — CID 115701267

IUPAC2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCC1(CO)CCCCC1
InChIInChI=1S/C16H21Cl2NO2/c17-13-5-4-12(8-14(13)18)9-15(21)19-10-16(11-20)6-2-1-3-7-16/h4-5,8,20H,1-3,6-7,9-11H2,(H,19,21)
InChIKeySCQWIJRLBGVJGZ-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.59
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (PubChem CID 115701267) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
PubChem CID115701267
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC Name2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCC1(CO)CCCCC1
InChIInChI=1S/C16H21Cl2NO2/c17-13-5-4-12(8-14(13)18)9-15(21)19-10-16(11-20)6-2-1-3-7-16/h4-5,8,20H,1-3,6-7,9-11H2,(H,19,21)
InChIKeySCQWIJRLBGVJGZ-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751097
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 103965193
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
2-(3,4-difluorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716827
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
CID 103969492
2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80711817
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631434
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (CID 115701267) is 2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NCC1(CO)CCCCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The InChIKey is SCQWIJRLBGVJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c17-13-5-4-12(8-14(13)18)9-15(21)19-10-16(11-20)6-2-1-3-7-16/h4-5,8,20H,1-3,6-7,9-11H2,(H,19,21).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide has a molecular weight of 330.25 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 115701267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).