N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide

C15H20F2N2O2 — CID 63258197

IUPACN-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide
SMILESNC1CCCCCC1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H20F2N2O2/c16-15(17)21-13-9-5-4-6-10(13)14(20)19-12-8-3-1-2-7-11(12)18/h4-6,9,11-12,15H,1-3,7-8,18H2,(H,19,20)
InChIKeyPPYRIKCNWWVFBP-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.68
Rot. Bonds4

About N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide

N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide (PubChem CID 63258197) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide
PubChem CID63258197
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide
SMILESNC1CCCCCC1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H20F2N2O2/c16-15(17)21-13-9-5-4-6-10(13)14(20)19-12-8-3-1-2-7-11(12)18/h4-6,9,11-12,15H,1-3,7-8,18H2,(H,19,20)
InChIKeyPPYRIKCNWWVFBP-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 79043530
N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide
CID 63257686
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159
N-(2-aminocyclohexyl)-2-hydroxy-3-methoxybenzamide
CID 55149455
N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
N-[(1R,2R)-2-aminocyclohexyl]-3-bromo-2-fluorobenzamide
CID 114020422
N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide
CID 107098127
phenyl N-(2-aminocycloheptyl)carbamate
CID 63259010
2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide
CID 122438808

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide (CID 63258197) is N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide is NC1CCCCCC1NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide?
The InChIKey is PPYRIKCNWWVFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-15(17)21-13-9-5-4-6-10(13)14(20)19-12-8-3-1-2-7-11(12)18/h4-6,9,11-12,15H,1-3,7-8,18H2,(H,19,20).
What are the key properties of N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide?
N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide has a molecular weight of 298.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 63258197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).