3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide

C16H21F2NO2 — CID 111446162

IUPAC3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CCc1cccc(F)c1F)NCC1(O)CCCCC1
InChIInChI=1S/C16H21F2NO2/c17-13-6-4-5-12(15(13)18)7-8-14(20)19-11-16(21)9-2-1-3-10-16/h4-6,21H,1-3,7-11H2,(H,19,20)
InChIKeyGSHOIUGOJCWSIK-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.71
Rot. Bonds5

About 3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide

3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide (PubChem CID 111446162) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
PubChem CID111446162
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CCc1cccc(F)c1F)NCC1(O)CCCCC1
InChIInChI=1S/C16H21F2NO2/c17-13-6-4-5-12(15(13)18)7-8-14(20)19-11-16(21)9-2-1-3-10-16/h4-6,21H,1-3,7-11H2,(H,19,20)
InChIKeyGSHOIUGOJCWSIK-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(2,3-difluorophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544257
3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide
CID 95972468
3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64867195
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111825380
1-[(2,3-difluoroanilino)methyl]cyclohexan-1-ol
CID 61077001
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
(2S)-3-[3-(2,3-difluorophenyl)propanoylamino]-2-methylpropanoic acid
CID 97324559
2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81163884
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide (CID 111446162) is 3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide is O=C(CCc1cccc(F)c1F)NCC1(O)CCCCC1.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is GSHOIUGOJCWSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c17-13-6-4-5-12(15(13)18)7-8-14(20)19-11-16(21)9-2-1-3-10-16/h4-6,21H,1-3,7-11H2,(H,19,20).
What are the key properties of 3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 297.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 111446162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).