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

C16H22FNO2 — CID 64867195

IUPAC3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1(O)CCCCC1
InChIInChI=1S/C16H22FNO2/c17-14-7-4-13(5-8-14)6-9-15(19)18-12-16(20)10-2-1-3-11-16/h4-5,7-8,20H,1-3,6,9-12H2,(H,18,19)
InChIKeyAZSPJOBLLVXJMQ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.57
Rot. Bonds5

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

3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide (PubChem CID 64867195) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
PubChem CID64867195
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1(O)CCCCC1
InChIInChI=1S/C16H22FNO2/c17-14-7-4-13(5-8-14)6-9-15(19)18-12-16(20)10-2-1-3-11-16/h4-5,7-8,20H,1-3,6,9-12H2,(H,18,19)
InChIKeyAZSPJOBLLVXJMQ-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79039118
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
3-(4-fluorophenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]propanamide
CID 91760690
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111333105
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446162
5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110310181
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 114760850
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide (CID 64867195) is 3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide is O=C(CCc1ccc(F)cc1)NCC1(O)CCCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is AZSPJOBLLVXJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-14-7-4-13(5-8-14)6-9-15(19)18-12-16(20)10-2-1-3-11-16/h4-5,7-8,20H,1-3,6,9-12H2,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 279.35 g/mol, XLogP of 2.57, 5 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-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 64867195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).