N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide

C13H22F2N2O — CID 107172304

IUPACN-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESO=C(NC1CCCNCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H22F2N2O/c14-13(15)6-3-10(4-7-13)12(18)17-11-2-1-8-16-9-5-11/h10-11,16H,1-9H2,(H,17,18)
InChIKeyXYONGCWXYJEVRP-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.07
Rot. Bonds2

About N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide

N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 107172304) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide
PubChem CID107172304
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC NameN-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESO=C(NC1CCCNCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H22F2N2O/c14-13(15)6-3-10(4-7-13)12(18)17-11-2-1-8-16-9-5-11/h10-11,16H,1-9H2,(H,17,18)
InChIKeyXYONGCWXYJEVRP-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azepan-4-yl)cyclohexanecarboxamide
CID 105059767
N-piperidin-4-ylcyclopropanecarboxamide
CID 1445166
3,3-difluoro-N-piperidin-3-ylcyclobutane-1-carboxamide
CID 119428759
N-piperidin-4-ylcycloheptanecarboxamide
CID 62587546
N-cycloheptylpiperidine-4-carboxamide;hydrochloride
CID 70702347
4-(cyclopentanecarbonylamino)-N-piperidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119427846
N-[3-(piperidine-4-carbonylamino)cyclohexyl]piperidine-4-carboxamide
CID 171722600
N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107172279
3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 131067891
N-(azepan-4-yl)pyrrolidine-1-carboxamide
CID 107172613
N-piperidin-4-ylazetidine-3-carboxamide
CID 123647317
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide (CID 107172304) is N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide is O=C(NC1CCCNCC1)C1CCC(F)(F)CC1.
What is the InChIKey of N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is XYONGCWXYJEVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c14-13(15)6-3-10(4-7-13)12(18)17-11-2-1-8-16-9-5-11/h10-11,16H,1-9H2,(H,17,18).
What are the key properties of N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide?
N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 260.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 107172304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).