3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide

C16H15BrF2N2O — CID 109042234

IUPAC3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
SMILESCc1cc(Br)ccc1NCCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H15BrF2N2O/c1-10-9-11(17)5-6-14(10)20-8-7-15(22)21-16-12(18)3-2-4-13(16)19/h2-6,9,20H,7-8H2,1H3,(H,21,22)
InChIKeyYHXZJJQCRLZUKH-UHFFFAOYSA-N
MW369.21 g/mol
LogP4.48
Rot. Bonds5

About 3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide

3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide (PubChem CID 109042234) has the molecular formula C16H15BrF2N2O and a molecular weight of 369.21 g/mol. Its IUPAC name is 3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
PubChem CID109042234
Molecular FormulaC16H15BrF2N2O
Molecular Weight369.21 g/mol
Exact Mass368.03
IUPAC Name3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
SMILESCc1cc(Br)ccc1NCCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H15BrF2N2O/c1-10-9-11(17)5-6-14(10)20-8-7-15(22)21-16-12(18)3-2-4-13(16)19/h2-6,9,20H,7-8H2,1H3,(H,21,22)
InChIKeyYHXZJJQCRLZUKH-UHFFFAOYSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042029
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042222
N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040526
3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide
CID 109024204
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
CID 109035088
N-(2,6-difluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042862
3-(2,6-diethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109037146
N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649691

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide (CID 109042234) is 3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide is Cc1cc(Br)ccc1NCCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide?
The InChIKey is YHXZJJQCRLZUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2N2O/c1-10-9-11(17)5-6-14(10)20-8-7-15(22)21-16-12(18)3-2-4-13(16)19/h2-6,9,20H,7-8H2,1H3,(H,21,22).
What are the key properties of 3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide?
3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide has a molecular weight of 369.21 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 109042234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).