3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide

C17H24FNO2 — CID 110631435

IUPAC3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1(CO)CCCCC1
InChIInChI=1S/C17H24FNO2/c18-15-7-4-14(5-8-15)6-9-16(21)19-12-17(13-20)10-2-1-3-11-17/h4-5,7-8,20H,1-3,6,9-13H2,(H,19,21)
InChIKeyKGDWEHAEZBOPLC-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.82
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide

3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide (PubChem CID 110631435) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
PubChem CID110631435
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1(CO)CCCCC1
InChIInChI=1S/C17H24FNO2/c18-15-7-4-14(5-8-15)6-9-16(21)19-12-17(13-20)10-2-1-3-11-17/h4-5,7-8,20H,1-3,6,9-13H2,(H,19,21)
InChIKeyKGDWEHAEZBOPLC-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110310181
3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64867195
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 110416896
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631434
3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 91954466
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508
3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79039118
2-[1-[[3-(4-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341622
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110354780
3-(4-fluorophenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]propanamide
CID 91760690

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide (CID 110631435) is 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide is O=C(CCc1ccc(F)cc1)NCC1(CO)CCCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The InChIKey is KGDWEHAEZBOPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c18-15-7-4-14(5-8-15)6-9-16(21)19-12-17(13-20)10-2-1-3-11-17/h4-5,7-8,20H,1-3,6,9-13H2,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide has a molecular weight of 293.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 110631435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).