3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide

C16H16BrFN2O — CID 109042030

IUPAC3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
SMILESCc1cc(NCCC(=O)Nc2cccc(F)c2)ccc1Br
InChIInChI=1S/C16H16BrFN2O/c1-11-9-13(5-6-15(11)17)19-8-7-16(21)20-14-4-2-3-12(18)10-14/h2-6,9-10,19H,7-8H2,1H3,(H,20,21)
InChIKeyYEWJWVWJUIYADE-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.34
Rot. Bonds5

About 3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide

3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide (PubChem CID 109042030) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
PubChem CID109042030
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
SMILESCc1cc(NCCC(=O)Nc2cccc(F)c2)ccc1Br
InChIInChI=1S/C16H16BrFN2O/c1-11-9-13(5-6-15(11)17)19-8-7-16(21)20-14-4-2-3-12(18)10-14/h2-6,9-10,19H,7-8H2,1H3,(H,20,21)
InChIKeyYEWJWVWJUIYADE-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956592
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643
3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035823
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
3-(4-bromo-2-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042029
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
CID 109039324
3-(4-bromo-3-methylanilino)-N-(4-cyanophenyl)propanamide
CID 109042257
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide (CID 109042030) is 3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide is Cc1cc(NCCC(=O)Nc2cccc(F)c2)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide?
The InChIKey is YEWJWVWJUIYADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-11-9-13(5-6-15(11)17)19-8-7-16(21)20-14-4-2-3-12(18)10-14/h2-6,9-10,19H,7-8H2,1H3,(H,20,21).
What are the key properties of 3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide?
3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide has a molecular weight of 351.22 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 109042030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).