3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide

C17H24FNO2 — CID 111485734

IUPAC3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
SMILESCC(CC(=O)NCC1(O)CCCCC1)c1cccc(F)c1
InChIInChI=1S/C17H24FNO2/c1-13(14-6-5-7-15(18)11-14)10-16(20)19-12-17(21)8-3-2-4-9-17/h5-7,11,13,21H,2-4,8-10,12H2,1H3,(H,19,20)
InChIKeySHNZZCFYAJEVSU-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.13
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide

3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide (PubChem CID 111485734) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
PubChem CID111485734
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
SMILESCC(CC(=O)NCC1(O)CCCCC1)c1cccc(F)c1
InChIInChI=1S/C17H24FNO2/c1-13(14-6-5-7-15(18)11-14)10-16(20)19-12-17(21)8-3-2-4-9-17/h5-7,11,13,21H,2-4,8-10,12H2,1H3,(H,19,20)
InChIKeySHNZZCFYAJEVSU-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
N-[(4-hydroxyoxan-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]butanamide
CID 111486072
1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 114871638
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
1-[[3-(3-methoxyphenyl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545023
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide
CID 4787583
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119641244
3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119461609
2-[3-(3-fluorophenyl)butanoylamino]butanoic acid
CID 119223317
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide (CID 111485734) is 3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide is CC(CC(=O)NCC1(O)CCCCC1)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide?
The InChIKey is SHNZZCFYAJEVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-13(14-6-5-7-15(18)11-14)10-16(20)19-12-17(21)8-3-2-4-9-17/h5-7,11,13,21H,2-4,8-10,12H2,1H3,(H,19,20).
What are the key properties of 3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide?
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide has a molecular weight of 293.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide is sourced from PubChem (CID 111485734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).