N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide

C16H14BrF2NO — CID 60564533

IUPACN-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2cc(F)ccc2F)c(Br)c1
InChIInChI=1S/C16H14BrF2NO/c1-10-2-6-15(13(17)8-10)20-16(21)7-3-11-9-12(18)4-5-14(11)19/h2,4-6,8-9H,3,7H2,1H3,(H,20,21)
InChIKeyHHWBDHCHBLPECK-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.61
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide

N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide (PubChem CID 60564533) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide
PubChem CID60564533
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC NameN-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2cc(F)ccc2F)c(Br)c1
InChIInChI=1S/C16H14BrF2NO/c1-10-2-6-15(13(17)8-10)20-16(21)7-3-11-9-12(18)4-5-14(11)19/h2,4-6,8-9H,3,7H2,1H3,(H,20,21)
InChIKeyHHWBDHCHBLPECK-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
CID 56782937
N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 9098661
N-(2-bromo-4-fluorophenyl)-2-(2-fluorophenyl)acetamide
CID 28938688
N-(2-bromo-5-methylphenyl)-2-(2,4-difluorophenyl)acetamide
CID 82706549
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 7796359
N'-(2-bromo-4-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946335
3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118544
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide (CID 60564533) is N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide is Cc1ccc(NC(=O)CCc2cc(F)ccc2F)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide?
The InChIKey is HHWBDHCHBLPECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c1-10-2-6-15(13(17)8-10)20-16(21)7-3-11-9-12(18)4-5-14(11)19/h2,4-6,8-9H,3,7H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide?
N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide has a molecular weight of 354.19 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 60564533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).