1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile

C12H11FN2O — CID 122510744

IUPAC1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile
SMILESN#CC1(NCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H11FN2O/c13-10-3-1-9(2-4-10)11(16)7-15-12(8-14)5-6-12/h1-4,15H,5-7H2
InChIKeyRDYSHSHUSYPJOY-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.65
Rot. Bonds4

About 1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile

1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile (PubChem CID 122510744) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile
PubChem CID122510744
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile
SMILESN#CC1(NCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H11FN2O/c13-10-3-1-9(2-4-10)11(16)7-15-12(8-14)5-6-12/h1-4,15H,5-7H2
InChIKeyRDYSHSHUSYPJOY-UHFFFAOYSA-N
XLogP1.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60660161
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile
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2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile
CID 82120041
N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride
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1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone
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2-[2-(4-fluorophenyl)-2-oxoethyl]benzonitrile
CID 122390947
N-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 82114443
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878271
1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555872
1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 15982679
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7789501
2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone
CID 110607576

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile (CID 122510744) is 1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile is N#CC1(NCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile?
The InChIKey is RDYSHSHUSYPJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-10-3-1-9(2-4-10)11(16)7-15-12(8-14)5-6-12/h1-4,15H,5-7H2.
What are the key properties of 1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile?
1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile has a molecular weight of 218.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile is sourced from PubChem (CID 122510744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).