[3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone

C16H22F2N2O — CID 63183625

IUPAC[3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCCNc1c(F)cc(C(=O)N2CCCC2CC)cc1F
InChIInChI=1S/C16H22F2N2O/c1-3-7-19-15-13(17)9-11(10-14(15)18)16(21)20-8-5-6-12(20)4-2/h9-10,12,19H,3-8H2,1-2H3
InChIKeyJIPXYVASCLCPKK-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.80
Rot. Bonds5

About [3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone

[3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 63183625) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is [3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID63183625
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name[3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCCNc1c(F)cc(C(=O)N2CCCC2CC)cc1F
InChIInChI=1S/C16H22F2N2O/c1-3-7-19-15-13(17)9-11(10-14(15)18)16(21)20-8-5-6-12(20)4-2/h9-10,12,19H,3-8H2,1-2H3
InChIKeyJIPXYVASCLCPKK-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 63187265
[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 63187071
[3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 63187434
[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62187046
[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone
CID 63185055
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[2-(chloromethyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63394259
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
CID 83016826
3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide
CID 142673349
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of [3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone (CID 63183625) is [3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone is CCCNc1c(F)cc(C(=O)N2CCCC2CC)cc1F.
What is the InChIKey of [3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is JIPXYVASCLCPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-3-7-19-15-13(17)9-11(10-14(15)18)16(21)20-8-5-6-12(20)4-2/h9-10,12,19H,3-8H2,1-2H3.
What are the key properties of [3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone?
[3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 296.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63183625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).