N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide

C15H21FN2O — CID 115575913

IUPACN-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
SMILESCC(NC(=O)N1CCCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-12(13-7-6-8-14(16)11-13)17-15(19)18-9-4-2-3-5-10-18/h6-8,11-12H,2-5,9-10H2,1H3,(H,17,19)
InChIKeyTYAIVNIUMDSXFV-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.47
Rot. Bonds2

About N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide

N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide (PubChem CID 115575913) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
PubChem CID115575913
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
SMILESCC(NC(=O)N1CCCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-12(13-7-6-8-14(16)11-13)17-15(19)18-9-4-2-3-5-10-18/h6-8,11-12H,2-5,9-10H2,1H3,(H,17,19)
InChIKeyTYAIVNIUMDSXFV-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone
CID 81364854
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-1-one
CID 81353078
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81365567
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 94179451
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 51083881
1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 42907119
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide (CID 115575913) is N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide is CC(NC(=O)N1CCCCCC1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide?
The InChIKey is TYAIVNIUMDSXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-12(13-7-6-8-14(16)11-13)17-15(19)18-9-4-2-3-5-10-18/h6-8,11-12H,2-5,9-10H2,1H3,(H,17,19).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide?
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide is sourced from PubChem (CID 115575913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).