N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide

C14H17F3N2O2 — CID 116629081

IUPACN-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCCCNC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-6-4-10(5-7-12)13(20)19-11-3-1-2-8-18-9-11/h4-7,11,18H,1-3,8-9H2,(H,19,20)
InChIKeyZBIRGEIVLMNHSH-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.46
Rot. Bonds3

About N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide

N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 116629081) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
PubChem CID116629081
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCCCNC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-6-4-10(5-7-12)13(20)19-11-3-1-2-8-18-9-11/h4-7,11,18H,1-3,8-9H2,(H,19,20)
InChIKeyZBIRGEIVLMNHSH-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide
CID 116629058
N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 71789114
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
N-piperidin-3-ylbenzamide
CID 22017045
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081
N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396
N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
CID 166176272
N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
N-(azepan-3-yl)-3,5-dihydroxybenzamide
CID 107704994

Frequently Asked Questions

What is the IUPAC name of N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide (CID 116629081) is N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide is O=C(NC1CCCCNC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is ZBIRGEIVLMNHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-6-4-10(5-7-12)13(20)19-11-3-1-2-8-18-9-11/h4-7,11,18H,1-3,8-9H2,(H,19,20).
What are the key properties of N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide?
N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 302.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116629081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).