azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene

C22H25F2NO — CID 169240229

IUPACazepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene
SMILESFc1cccc(F)c1-c1ccccc1.O=C(C1CC1)N1CCCCCC1
InChIInChI=1S/C12H8F2.C10H17NO/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9;12-10(9-5-6-9)11-7-3-1-2-4-8-11/h1-8H;9H,1-8H2
InChIKeyRVTFFVGYINFYTO-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.43
Rot. Bonds2

About azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene

azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene (PubChem CID 169240229) has the molecular formula C22H25F2NO and a molecular weight of 357.44 g/mol. Its IUPAC name is azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene.

Molecular Properties

Compound Nameazepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene
PubChem CID169240229
Molecular FormulaC22H25F2NO
Molecular Weight357.44 g/mol
Exact Mass357.19
IUPAC Nameazepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene
SMILESFc1cccc(F)c1-c1ccccc1.O=C(C1CC1)N1CCCCCC1
InChIInChI=1S/C12H8F2.C10H17NO/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9;12-10(9-5-6-9)11-7-3-1-2-4-8-11/h1-8H;9H,1-8H2
InChIKeyRVTFFVGYINFYTO-UHFFFAOYSA-N
XLogP5.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene 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

azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine
CID 169240371
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
azepan-1-yl-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 110887653
(2R)-2-(2,6-difluorophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetic acid
CID 97190780
cyclobutyl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849804
[2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone
CID 170293931
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
cyclohexyl-[(3R)-3-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]methanone
CID 134374259
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene?
The IUPAC name of azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene (CID 169240229) is azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene.
What is the SMILES notation for azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene?
The canonical SMILES for azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene is Fc1cccc(F)c1-c1ccccc1.O=C(C1CC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene?
The InChIKey is RVTFFVGYINFYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2.C10H17NO/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9;12-10(9-5-6-9)11-7-3-1-2-4-8-11/h1-8H;9H,1-8H2.
What are the key properties of azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene?
azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene has a molecular weight of 357.44 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene is sourced from PubChem (CID 169240229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).