3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide

C14H10BrF3N2O — CID 60862529

IUPAC3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2c(F)cc(F)cc2Br)cc1F
InChIInChI=1S/C14H10BrF3N2O/c1-6-10(17)2-7(3-12(6)19)14(21)20-13-9(15)4-8(16)5-11(13)18/h2-5H,19H2,1H3,(H,20,21)
InChIKeyYDQYESQWZWSQFV-UHFFFAOYSA-N
MW359.15 g/mol
LogP4.01
Rot. Bonds2

About 3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide

3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide (PubChem CID 60862529) has the molecular formula C14H10BrF3N2O and a molecular weight of 359.15 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
PubChem CID60862529
Molecular FormulaC14H10BrF3N2O
Molecular Weight359.15 g/mol
Exact Mass357.99
IUPAC Name3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2c(F)cc(F)cc2Br)cc1F
InChIInChI=1S/C14H10BrF3N2O/c1-6-10(17)2-7(3-12(6)19)14(21)20-13-9(15)4-8(16)5-11(13)18/h2-5H,19H2,1H3,(H,20,21)
InChIKeyYDQYESQWZWSQFV-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 107608760
3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
CID 60861695
3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 60861029
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863
3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide
CID 81471642
3-amino-N-(2-bromo-4,6-difluorophenyl)-2,5-difluorobenzamide
CID 107120482
2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
CID 63109685
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
N-(2-bromo-4,6-difluorophenyl)-3-hydroxybenzamide
CID 43132174
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950307
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide (CID 60862529) is 3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)Nc2c(F)cc(F)cc2Br)cc1F.
What is the InChIKey of 3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide?
The InChIKey is YDQYESQWZWSQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O/c1-6-10(17)2-7(3-12(6)19)14(21)20-13-9(15)4-8(16)5-11(13)18/h2-5H,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide?
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide has a molecular weight of 359.15 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 60862529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).