N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide

C16H23FN2O — CID 116655796

IUPACN-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)N1CCCCCC1
InChIInChI=1S/C16H23FN2O/c1-13(14-9-5-6-10-15(14)17)18(2)16(20)19-11-7-3-4-8-12-19/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
InChIKeyWTAGDHAYCFCSDK-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.81
Rot. Bonds2

About N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide

N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide (PubChem CID 116655796) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
PubChem CID116655796
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)N1CCCCCC1
InChIInChI=1S/C16H23FN2O/c1-13(14-9-5-6-10-15(14)17)18(2)16(20)19-11-7-3-4-8-12-19/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
InChIKeyWTAGDHAYCFCSDK-UHFFFAOYSA-N
XLogP3.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 115589121
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 112725664
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441
cis-(1R,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124778911
trans-(1S,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552997
N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
CID 112725705
(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 93370008
N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide
CID 63181963
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
2-(1-aminocyclopentyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 64685885
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61018397

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide (CID 116655796) is N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide is CC(c1ccccc1F)N(C)C(=O)N1CCCCCC1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide?
The InChIKey is WTAGDHAYCFCSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-13(14-9-5-6-10-15(14)17)18(2)16(20)19-11-7-3-4-8-12-19/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide?
N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide is sourced from PubChem (CID 116655796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).