2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone

C13H16F2N2O2 — CID 43217747

IUPAC2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1ccccc1OC(F)F)N1CCCC1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)19-11-6-2-1-5-10(11)16-9-12(18)17-7-3-4-8-17/h1-2,5-6,13,16H,3-4,7-9H2
InChIKeyJIBNQZFPIOQNFS-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.32
Rot. Bonds5

About 2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone

2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone (PubChem CID 43217747) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
PubChem CID43217747
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1ccccc1OC(F)F)N1CCCC1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)19-11-6-2-1-5-10(11)16-9-12(18)17-7-3-4-8-17/h1-2,5-6,13,16H,3-4,7-9H2
InChIKeyJIBNQZFPIOQNFS-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745
2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone
CID 43217744
2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone
CID 43217862
2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone
CID 28568569
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
1-(azepan-1-yl)-2-[2-(dimethylamino)anilino]ethanone
CID 106759777
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone (CID 43217747) is 2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone is O=C(CNc1ccccc1OC(F)F)N1CCCC1.
What is the InChIKey of 2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone?
The InChIKey is JIBNQZFPIOQNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-13(15)19-11-6-2-1-5-10(11)16-9-12(18)17-7-3-4-8-17/h1-2,5-6,13,16H,3-4,7-9H2.
What are the key properties of 2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone?
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone has a molecular weight of 270.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43217747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).