2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

C16H23FN2O — CID 644372

IUPAC2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN1CCCCCC1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c17-15-7-5-14(6-8-15)9-10-18-16(20)13-19-11-3-1-2-4-12-19/h5-8H,1-4,9-13H2,(H,18,20)
InChIKeyJHEKGAIZRVGERM-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.36
Rot. Bonds5

About 2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 644372) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID644372
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN1CCCCCC1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c17-15-7-5-14(6-8-15)9-10-18-16(20)13-19-11-3-1-2-4-12-19/h5-8H,1-4,9-13H2,(H,18,20)
InChIKeyJHEKGAIZRVGERM-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 136527123
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
N-[2-(4-fluorophenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 36852770
N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 37192477
N-[2-(4-fluorophenyl)ethyl]-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 137334203
N-[2-(4-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 91843173
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 18125275
2-(1,4-diazepan-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62832012
2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62839241
N-[2-(4-fluorophenyl)ethyl]-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)acetamide
CID 136563031
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2109300

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 644372) is 2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CN1CCCCCC1)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is JHEKGAIZRVGERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-15-7-5-14(6-8-15)9-10-18-16(20)13-19-11-3-1-2-4-12-19/h5-8H,1-4,9-13H2,(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 278.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 644372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).