N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide

C16H17F6NO — CID 154183333

IUPACN-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
SMILESO=C(NC1CCCCCC1)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C16H17F6NO/c17-15(18,19)10-7-8-13(16(20,21)22)12(9-10)14(24)23-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2,(H,23,24)
InChIKeyAVOSKJACAJGDHW-UHFFFAOYSA-N
MW353.31 g/mol
LogP5.18
Rot. Bonds2

About N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide

N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide (PubChem CID 154183333) has the molecular formula C16H17F6NO and a molecular weight of 353.31 g/mol. Its IUPAC name is N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
PubChem CID154183333
Molecular FormulaC16H17F6NO
Molecular Weight353.31 g/mol
Exact Mass353.12
IUPAC NameN-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
SMILESO=C(NC1CCCCCC1)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C16H17F6NO/c17-15(18,19)10-7-8-13(16(20,21)22)12(9-10)14(24)23-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2,(H,23,24)
InChIKeyAVOSKJACAJGDHW-UHFFFAOYSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.31
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-cyclohexyl-2,6-bis(trifluoromethyl)benzamide
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N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 38112749
3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
CID 146047094
N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide
CID 71663153
N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide (CID 154183333) is N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide is O=C(NC1CCCCCC1)c1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide?
The InChIKey is AVOSKJACAJGDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F6NO/c17-15(18,19)10-7-8-13(16(20,21)22)12(9-10)14(24)23-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2,(H,23,24).
What are the key properties of N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide?
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide has a molecular weight of 353.31 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 154183333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).