N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide

C14H17F3N2O2 — CID 64563962

IUPACN-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1CCCCCN1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-8-4-3-6-10(12)19-13(20)11-7-2-1-5-9-18-11/h3-4,6,8,11,18H,1-2,5,7,9H2,(H,19,20)
InChIKeyXJAOPKQBEMTRST-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.06
Rot. Bonds3

About N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide

N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide (PubChem CID 64563962) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide
PubChem CID64563962
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1CCCCCN1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-8-4-3-6-10(12)19-13(20)11-7-2-1-5-9-18-11/h3-4,6,8,11,18H,1-2,5,7,9H2,(H,19,20)
InChIKeyXJAOPKQBEMTRST-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 18072094
N-(2-phenoxyphenyl)piperidine-2-carboxamide
CID 18071902
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 61254583
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61253216
N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 18072532
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 104912846
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
(2R)-N-(2-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 103795046

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide?
The IUPAC name of N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide (CID 64563962) is N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide?
The canonical SMILES for N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)C1CCCCCN1.
What is the InChIKey of N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide?
The InChIKey is XJAOPKQBEMTRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-8-4-3-6-10(12)19-13(20)11-7-2-1-5-9-18-11/h3-4,6,8,11,18H,1-2,5,7,9H2,(H,19,20).
What are the key properties of N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide?
N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide is sourced from PubChem (CID 64563962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).