5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide

C19H28FNO2 — CID 110310181

IUPAC5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
SMILESO=C(CCCCc1ccc(F)cc1)NCC1(CO)CCCCC1
InChIInChI=1S/C19H28FNO2/c20-17-10-8-16(9-11-17)6-2-3-7-18(23)21-14-19(15-22)12-4-1-5-13-19/h8-11,22H,1-7,12-15H2,(H,21,23)
InChIKeyDBTZMZQTBXPHPC-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.60
Rot. Bonds8

About 5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide

5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide (PubChem CID 110310181) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
PubChem CID110310181
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC Name5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
SMILESO=C(CCCCc1ccc(F)cc1)NCC1(CO)CCCCC1
InChIInChI=1S/C19H28FNO2/c20-17-10-8-16(9-11-17)6-2-3-7-18(23)21-14-19(15-22)12-4-1-5-13-19/h8-11,22H,1-7,12-15H2,(H,21,23)
InChIKeyDBTZMZQTBXPHPC-UHFFFAOYSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64867195
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 103966027
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966037
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110354780
4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 115701308
5-(4-fluorophenyl)-N-formylpentanamide
CID 145350810
3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 110416896
5-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 110306829

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide (CID 110310181) is 5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide is O=C(CCCCc1ccc(F)cc1)NCC1(CO)CCCCC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide?
The InChIKey is DBTZMZQTBXPHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO2/c20-17-10-8-16(9-11-17)6-2-3-7-18(23)21-14-19(15-22)12-4-1-5-13-19/h8-11,22H,1-7,12-15H2,(H,21,23).
What are the key properties of 5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide?
5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide has a molecular weight of 321.44 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide is sourced from PubChem (CID 110310181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).