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

C20H24F2N2O — CID 169240371

IUPACazetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine
SMILESCN.Fc1cccc(F)c1-c1ccccc1.O=C(C1CC1)N1CCC1
InChIInChI=1S/C12H8F2.C7H11NO.CH5N/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9;9-7(6-2-3-6)8-4-1-5-8;1-2/h1-8H;6H,1-5H2;2H2,1H3
InChIKeyMDZWJWJKIXLFHE-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.84
Rot. Bonds2

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

azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine (PubChem CID 169240371) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine.

Molecular Properties

Compound Nameazetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine
PubChem CID169240371
Molecular FormulaC20H24F2N2O
Molecular Weight346.42 g/mol
Exact Mass346.19
IUPAC Nameazetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine
SMILESCN.Fc1cccc(F)c1-c1ccccc1.O=C(C1CC1)N1CCC1
InChIInChI=1S/C12H8F2.C7H11NO.CH5N/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9;9-7(6-2-3-6)8-4-1-5-8;1-2/h1-8H;6H,1-5H2;2H2,1H3
InChIKeyMDZWJWJKIXLFHE-UHFFFAOYSA-N
XLogP3.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene
CID 169240229
cyclobutyl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849804
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110797870
(2R)-2-(2,6-difluorophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetic acid
CID 97190780
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
azepan-1-yl-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 110887653
cyclopropyl-[4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1,4-diazepan-1-yl]methanone
CID 155944743

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine?
The IUPAC name of azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine (CID 169240371) is azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine.
What is the SMILES notation for azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine?
The canonical SMILES for azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine is CN.Fc1cccc(F)c1-c1ccccc1.O=C(C1CC1)N1CCC1.
What is the InChIKey of azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine?
The InChIKey is MDZWJWJKIXLFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2.C7H11NO.CH5N/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9;9-7(6-2-3-6)8-4-1-5-8;1-2/h1-8H;6H,1-5H2;2H2,1H3.
What are the key properties of azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine?
azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine has a molecular weight of 346.42 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine is sourced from PubChem (CID 169240371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).