N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide

C14H17F2NO2 — CID 111537333

IUPACN-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1cccc(F)c1F
InChIInChI=1S/C14H17F2NO2/c15-10-5-4-6-11(13(10)16)17-12(18)9-14(19)7-2-1-3-8-14/h4-6,19H,1-3,7-9H2,(H,17,18)
InChIKeyDZEMXIVDJKXCME-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.99
Rot. Bonds3

About N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide

N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111537333) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111537333
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC NameN-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1cccc(F)c1F
InChIInChI=1S/C14H17F2NO2/c15-10-5-4-6-11(13(10)16)17-12(18)9-14(19)7-2-1-3-8-14/h4-6,19H,1-3,7-9H2,(H,17,18)
InChIKeyDZEMXIVDJKXCME-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-difluoroanilino)methyl]cyclohexan-1-ol
CID 61077001
2-(1-hydroxycyclopentyl)-N-(2-hydroxyphenyl)acetamide
CID 111430337
2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 111430472
2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
N-(4-chloro-2-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432127
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420
N-(2-ethylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430432
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
1-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexane-1-carboxylic acid
CID 24535569
N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111331778
N-[2-(difluoromethoxy)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331721
N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432184

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide (CID 111537333) is N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide is O=C(CC1(O)CCCCC1)Nc1cccc(F)c1F.
What is the InChIKey of N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is DZEMXIVDJKXCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-10-5-4-6-11(13(10)16)17-12(18)9-14(19)7-2-1-3-8-14/h4-6,19H,1-3,7-9H2,(H,17,18).
What are the key properties of N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 269.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111537333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).