3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide

C18H18BrF2NO — CID 55832375

IUPAC3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)CCc1ccccc1Br
InChIInChI=1S/C18H18BrF2NO/c1-12(14-7-9-16(20)17(21)11-14)22(2)18(23)10-8-13-5-3-4-6-15(13)19/h3-7,9,11-12H,8,10H2,1-2H3
InChIKeyJCTGAYMPFAWCGU-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.88
Rot. Bonds5

About 3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide

3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide (PubChem CID 55832375) has the molecular formula C18H18BrF2NO and a molecular weight of 382.25 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide
PubChem CID55832375
Molecular FormulaC18H18BrF2NO
Molecular Weight382.25 g/mol
Exact Mass381.05
IUPAC Name3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)CCc1ccccc1Br
InChIInChI=1S/C18H18BrF2NO/c1-12(14-7-9-16(20)17(21)11-14)22(2)18(23)10-8-13-5-3-4-6-15(13)19/h3-7,9,11-12H,8,10H2,1-2H3
InChIKeyJCTGAYMPFAWCGU-UHFFFAOYSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608510
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 31163413
3-(2-aminophenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608425
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 134026968
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide
CID 120608860
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-methylpropylsulfonyl)acetamide
CID 86993538
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 31163241
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide
CID 78900392
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide (CID 55832375) is 3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)CCc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide?
The InChIKey is JCTGAYMPFAWCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF2NO/c1-12(14-7-9-16(20)17(21)11-14)22(2)18(23)10-8-13-5-3-4-6-15(13)19/h3-7,9,11-12H,8,10H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide?
3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide has a molecular weight of 382.25 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 55832375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).