N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide

C14H17F2NO2 — CID 115151145

IUPACN-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CCC(CO)CC1
InChIInChI=1S/C14H17F2NO2/c15-11-5-6-12(16)13(7-11)17-14(19)10-3-1-9(8-18)2-4-10/h5-7,9-10,18H,1-4,8H2,(H,17,19)
InChIKeyXKRRAKFABMVGSM-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.70
Rot. Bonds3

About N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide

N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide (PubChem CID 115151145) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide
PubChem CID115151145
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC NameN-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CCC(CO)CC1
InChIInChI=1S/C14H17F2NO2/c15-11-5-6-12(16)13(7-11)17-14(19)10-3-1-9(8-18)2-4-10/h5-7,9-10,18H,1-4,8H2,(H,17,19)
InChIKeyXKRRAKFABMVGSM-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 28550703
4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide
CID 79526871
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240
(3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534986
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide
CID 82034301
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 60849041
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide (CID 115151145) is N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide is O=C(Nc1cc(F)ccc1F)C1CCC(CO)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide?
The InChIKey is XKRRAKFABMVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-11-5-6-12(16)13(7-11)17-14(19)10-3-1-9(8-18)2-4-10/h5-7,9-10,18H,1-4,8H2,(H,17,19).
What are the key properties of N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide?
N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide has a molecular weight of 269.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).