N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide

C15H20FNO2 — CID 115151196

IUPACN-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCC(CO)CC1
InChIInChI=1S/C15H20FNO2/c16-14-7-3-11(4-8-14)9-17-15(19)13-5-1-12(10-18)2-6-13/h3-4,7-8,12-13,18H,1-2,5-6,9-10H2,(H,17,19)
InChIKeyFZVOGPSNAVNOLT-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.24
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide (PubChem CID 115151196) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
PubChem CID115151196
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCC(CO)CC1
InChIInChI=1S/C15H20FNO2/c16-14-7-3-11(4-8-14)9-17-15(19)13-5-1-12(10-18)2-6-13/h3-4,7-8,12-13,18H,1-2,5-6,9-10H2,(H,17,19)
InChIKeyFZVOGPSNAVNOLT-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide
CID 115151200
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145063
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
4-N,4-N-diethyl-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148420
N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151204
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
4-N-(2,6-dimethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148442
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
CID 156825046

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide (CID 115151196) is N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide is O=C(NCc1ccc(F)cc1)C1CCC(CO)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide?
The InChIKey is FZVOGPSNAVNOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-14-7-3-11(4-8-14)9-17-15(19)13-5-1-12(10-18)2-6-13/h3-4,7-8,12-13,18H,1-2,5-6,9-10H2,(H,17,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).