N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide

C14H17F3N2O — CID 63258010

IUPACN-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
SMILESNC1CCCCCC1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H17F3N2O/c15-9-6-8(7-10(16)13(9)17)14(20)19-12-5-3-1-2-4-11(12)18/h6-7,11-12H,1-5,18H2,(H,19,20)
InChIKeyVAYNIQHFAGSBDJ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.49
Rot. Bonds2

About N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide

N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide (PubChem CID 63258010) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
PubChem CID63258010
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
SMILESNC1CCCCCC1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H17F3N2O/c15-9-6-8(7-10(16)13(9)17)14(20)19-12-5-3-1-2-4-11(12)18/h6-7,11-12H,1-5,18H2,(H,19,20)
InChIKeyVAYNIQHFAGSBDJ-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
CID 114024825
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248
N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 59290522
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide
CID 114821924
N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide
CID 81323198
N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 63251637
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide?
The IUPAC name of N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide (CID 63258010) is N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide is NC1CCCCCC1NC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide?
The InChIKey is VAYNIQHFAGSBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-9-6-8(7-10(16)13(9)17)14(20)19-12-5-3-1-2-4-11(12)18/h6-7,11-12H,1-5,18H2,(H,19,20).
What are the key properties of N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide?
N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide has a molecular weight of 286.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63258010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).