2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide

C15H19F2NO2 — CID 106123755

IUPAC2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)NCC1CCC(O)CC1
InChIInChI=1S/C15H19F2NO2/c16-13-6-3-11(7-14(13)17)8-15(20)18-9-10-1-4-12(19)5-2-10/h3,6-7,10,12,19H,1-2,4-5,8-9H2,(H,18,20)
InChIKeyAULWEPQUQJJUAL-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.17
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide

2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide (PubChem CID 106123755) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
PubChem CID106123755
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)NCC1CCC(O)CC1
InChIInChI=1S/C15H19F2NO2/c16-13-6-3-11(7-14(13)17)8-15(20)18-9-10-1-4-12(19)5-2-10/h3,6-7,10,12,19H,1-2,4-5,8-9H2,(H,18,20)
InChIKeyAULWEPQUQJJUAL-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 106137813
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280483
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106135698
2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106119007
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122391
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 106133406

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide (CID 106123755) is 2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide is O=C(Cc1ccc(F)c(F)c1)NCC1CCC(O)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is AULWEPQUQJJUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-13-6-3-11(7-14(13)17)8-15(20)18-9-10-1-4-12(19)5-2-10/h3,6-7,10,12,19H,1-2,4-5,8-9H2,(H,18,20).
What are the key properties of 2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 283.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 106123755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).