N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide

C16H21F2NO2 — CID 111432741

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCC(NC(=O)CC1(O)CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H21F2NO2/c1-11(12-5-6-13(17)14(18)9-12)19-15(20)10-16(21)7-3-2-4-8-16/h5-6,9,11,21H,2-4,7-8,10H2,1H3,(H,19,20)
InChIKeyGQLGIXKSUZSKLT-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.23
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide

N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111432741) has the molecular formula C16H21F2NO2 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111432741
Molecular FormulaC16H21F2NO2
Molecular Weight297.35 g/mol
Exact Mass297.15
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCC(NC(=O)CC1(O)CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H21F2NO2/c1-11(12-5-6-13(17)14(18)9-12)19-15(20)10-16(21)7-3-2-4-8-16/h5-6,9,11,21H,2-4,7-8,10H2,1H3,(H,19,20)
InChIKeyGQLGIXKSUZSKLT-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide
CID 111331706
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51150839
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
CID 43000604
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 60850443
1-amino-N-[1-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119686347
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide (CID 111432741) is N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide is CC(NC(=O)CC1(O)CCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is GQLGIXKSUZSKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-11(12-5-6-13(17)14(18)9-12)19-15(20)10-16(21)7-3-2-4-8-16/h5-6,9,11,21H,2-4,7-8,10H2,1H3,(H,19,20).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 297.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111432741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).