N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide

C17H25FN2O — CID 64563430

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide
SMILESCCN(C(=O)C1CCCCCN1)C(C)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-3-20(13(2)14-8-10-15(18)11-9-14)17(21)16-7-5-4-6-12-19-16/h8-11,13,16,19H,3-7,12H2,1-2H3
InChIKeyWOGSCEVOVRBYSN-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.27
Rot. Bonds4

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide (PubChem CID 64563430) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide
PubChem CID64563430
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide
SMILESCCN(C(=O)C1CCCCCN1)C(C)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-3-20(13(2)14-8-10-15(18)11-9-14)17(21)16-7-5-4-6-12-19-16/h8-11,13,16,19H,3-7,12H2,1-2H3
InChIKeyWOGSCEVOVRBYSN-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067743
N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54869659
N-ethyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 60947943
N-[1-(2,5-difluorophenyl)ethyl]-N-methylazepane-2-carboxamide
CID 64562272
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103809324
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 61029614
(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide
CID 104913230
(2S)-N-ethyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93273990
2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid
CID 167947971
N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide
CID 64562282

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide (CID 64563430) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide is CCN(C(=O)C1CCCCCN1)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide?
The InChIKey is WOGSCEVOVRBYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-20(13(2)14-8-10-15(18)11-9-14)17(21)16-7-5-4-6-12-19-16/h8-11,13,16,19H,3-7,12H2,1-2H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide is sourced from PubChem (CID 64563430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).