N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide

C16H21F2NO2 — CID 121194081

IUPACN-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCC(F)(F)CC2)cc1C
InChIInChI=1S/C16H21F2NO2/c1-11-9-12(3-4-14(11)21-2)10-15(20)19-13-5-7-16(17,18)8-6-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyLHFZSPULANNJCU-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.24
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide

N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide (PubChem CID 121194081) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide
PubChem CID121194081
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC NameN-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCC(F)(F)CC2)cc1C
InChIInChI=1S/C16H21F2NO2/c1-11-9-12(3-4-14(11)21-2)10-15(20)19-13-5-7-16(17,18)8-6-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyLHFZSPULANNJCU-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide
CID 62625952
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491
N-cyclopentyl-2-(2,5-dimethoxy-4-methylphenyl)acetamide
CID 110769695
2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 55039758
N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
CID 119104693
N-cyclopentyl-2-(3-ethenyl-4-methoxyphenyl)acetamide
CID 176516153
2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108558717
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
CID 77089658
N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 12004095
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide (CID 121194081) is N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide is COc1ccc(CC(=O)NC2CCC(F)(F)CC2)cc1C.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide?
The InChIKey is LHFZSPULANNJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-11-9-12(3-4-14(11)21-2)10-15(20)19-13-5-7-16(17,18)8-6-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,20).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide?
N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide has a molecular weight of 297.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide is sourced from PubChem (CID 121194081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).