[3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

C14H18F2N2O2 — CID 64583162

IUPAC[3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCNc1c(F)cc(C(=O)N2CCC(COC)C2)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-17-13-11(15)5-10(6-12(13)16)14(19)18-4-3-9(7-18)8-20-2/h5-6,9,17H,3-4,7-8H2,1-2H3
InChIKeyRPMKLDVOEISYBH-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.12
Rot. Bonds4

About [3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

[3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 64583162) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is [3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID64583162
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name[3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCNc1c(F)cc(C(=O)N2CCC(COC)C2)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-17-13-11(15)5-10(6-12(13)16)14(19)18-4-3-9(7-18)8-20-2/h5-6,9,17H,3-4,7-8H2,1-2H3
InChIKeyRPMKLDVOEISYBH-UHFFFAOYSA-N
XLogP2.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-difluoro-4-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63978081
(3,5-difluoro-4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588873
2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 64723144
[4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115967024
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308
(4-fluoro-3-nitrophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570122
[3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone
CID 63626543
[3,5-difluoro-4-(methylamino)phenyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603059
(5-amino-2,4-difluorophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64568795
3-fluoro-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597823
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 64583564
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 114801630

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 64583162) is [3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is CNc1c(F)cc(C(=O)N2CCC(COC)C2)cc1F.
What is the InChIKey of [3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RPMKLDVOEISYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-17-13-11(15)5-10(6-12(13)16)14(19)18-4-3-9(7-18)8-20-2/h5-6,9,17H,3-4,7-8H2,1-2H3.
What are the key properties of [3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
[3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 284.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 64583162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).