3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide

C16H24F2N2O — CID 86929314

IUPAC3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-16(2,11-20(3)4)10-19-15(21)8-6-12-5-7-13(17)14(18)9-12/h5,7,9H,6,8,10-11H2,1-4H3,(H,19,21)
InChIKeyRBGWNITYLKKCGY-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.60
Rot. Bonds7

About 3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide

3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide (PubChem CID 86929314) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
PubChem CID86929314
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-16(2,11-20(3)4)10-19-15(21)8-6-12-5-7-13(17)14(18)9-12/h5,7,9H,6,8,10-11H2,1-4H3,(H,19,21)
InChIKeyRBGWNITYLKKCGY-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169617
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114649
3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86916563
3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 78848142
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide
CID 46995000
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452290
3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500923
2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
CID 8502117
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839553
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide
CID 107020116
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 103839704
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 9084151

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide (CID 86929314) is 3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide is CN(C)CC(C)(C)CNC(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
The InChIKey is RBGWNITYLKKCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-16(2,11-20(3)4)10-19-15(21)8-6-12-5-7-13(17)14(18)9-12/h5,7,9H,6,8,10-11H2,1-4H3,(H,19,21).
What are the key properties of 3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide?
3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide has a molecular weight of 298.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide is sourced from PubChem (CID 86929314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).