N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide

C15H20FNO2 — CID 115151204

IUPACN-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCC(CO)CC1
InChIInChI=1S/C15H20FNO2/c16-14-4-2-1-3-13(14)9-17-15(19)12-7-5-11(10-18)6-8-12/h1-4,11-12,18H,5-10H2,(H,17,19)
InChIKeyPJKWFIZXCUVJTP-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.24
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide

N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide (PubChem CID 115151204) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
PubChem CID115151204
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCC(CO)CC1
InChIInChI=1S/C15H20FNO2/c16-14-4-2-1-3-13(14)9-17-15(19)12-7-5-11(10-18)6-8-12/h1-4,11-12,18H,5-10H2,(H,17,19)
InChIKeyPJKWFIZXCUVJTP-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-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675
4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148389
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109148357
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
2-(2-fluorophenyl)-N-[4-(hydroxymethyl)cyclohexyl]acetamide
CID 115270081
4-N-(3,5-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148377
4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148399
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18105806

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide (CID 115151204) is N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide is O=C(NCc1ccccc1F)C1CCC(CO)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide?
The InChIKey is PJKWFIZXCUVJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-14-4-2-1-3-13(14)9-17-15(19)12-7-5-11(10-18)6-8-12/h1-4,11-12,18H,5-10H2,(H,17,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide?
N-[(2-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-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).