1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one

C16H22F2N2O — CID 63273847

IUPAC1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
SMILESCC(C(=O)c1ccc(F)c(F)c1)N(C)CC1CCN(C)C1
InChIInChI=1S/C16H22F2N2O/c1-11(20(3)10-12-6-7-19(2)9-12)16(21)13-4-5-14(17)15(18)8-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyZNHWIGQIFVLPPM-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.42
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one

1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one (PubChem CID 63273847) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
PubChem CID63273847
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
SMILESCC(C(=O)c1ccc(F)c(F)c1)N(C)CC1CCN(C)C1
InChIInChI=1S/C16H22F2N2O/c1-11(20(3)10-12-6-7-19(2)9-12)16(21)13-4-5-14(17)15(18)8-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyZNHWIGQIFVLPPM-UHFFFAOYSA-N
XLogP2.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273630
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 63273720
1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273846
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236552
1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one
CID 43795734
1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
CID 43796194
1-(3,4-difluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]propan-1-one
CID 79850848
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 55170472
1-(4-fluorophenyl)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-one
CID 63273502
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one (CID 63273847) is 1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one is CC(C(=O)c1ccc(F)c(F)c1)N(C)CC1CCN(C)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one?
The InChIKey is ZNHWIGQIFVLPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-11(20(3)10-12-6-7-19(2)9-12)16(21)13-4-5-14(17)15(18)8-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one?
1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one has a molecular weight of 296.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 63273847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).