3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide

C13H17F3N2O — CID 136560720

IUPAC3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(F)(F)c1ccc(F)cc1
InChIInChI=1S/C13H17F3N2O/c1-17-12(19)7-8-18(2)9-13(15,16)10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3,(H,17,19)
InChIKeyYNMNXFIFCMABQD-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.99
Rot. Bonds6

About 3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide

3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide (PubChem CID 136560720) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide
PubChem CID136560720
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(F)(F)c1ccc(F)cc1
InChIInChI=1S/C13H17F3N2O/c1-17-12(19)7-8-18(2)9-13(15,16)10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3,(H,17,19)
InChIKeyYNMNXFIFCMABQD-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide
CID 95193542
3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 104881358
N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890403
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 106915052
N-methyl-3-[4-(trifluoromethyl)anilino]propanamide
CID 62326575
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-3-(trifluoromethyl)benzoic acid
CID 106916147
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890401
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide
CID 103864920

Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide (CID 136560720) is 3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)CC(F)(F)c1ccc(F)cc1.
What is the InChIKey of 3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide?
The InChIKey is YNMNXFIFCMABQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-17-12(19)7-8-18(2)9-13(15,16)10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide?
3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide has a molecular weight of 274.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 136560720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).