N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide

C15H20F2N2O — CID 63187586

IUPACN-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NC2CCCCCC2)cc1F
InChIInChI=1S/C15H20F2N2O/c1-18-14-12(16)8-10(9-13(14)17)15(20)19-11-6-4-2-3-5-7-11/h8-9,11,18H,2-7H2,1H3,(H,19,20)
InChIKeyHUBVRDORKPSCTB-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.46
Rot. Bonds3

About N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide

N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 63187586) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
PubChem CID63187586
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NC2CCCCCC2)cc1F
InChIInChI=1S/C15H20F2N2O/c1-18-14-12(16)8-10(9-13(14)17)15(20)19-11-6-4-2-3-5-7-11/h8-9,11,18H,2-7H2,1H3,(H,19,20)
InChIKeyHUBVRDORKPSCTB-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cyclohexyl-3,5-difluorobenzamide
CID 172646662
N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 63185168
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185967
N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide
CID 79870125
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63184835
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
3,5-difluoro-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185334
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 83015630
N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445697
3,5-diamino-N-cyclooctylbenzamide
CID 61092511

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide (CID 63187586) is N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)NC2CCCCCC2)cc1F.
What is the InChIKey of N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is HUBVRDORKPSCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-18-14-12(16)8-10(9-13(14)17)15(20)19-11-6-4-2-3-5-7-11/h8-9,11,18H,2-7H2,1H3,(H,19,20).
What are the key properties of N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide?
N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 282.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 63187586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).