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

C14H11BrF2N2O — CID 107872035

IUPAC3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H11BrF2N2O/c1-7-10(4-8(15)5-12(7)18)14(20)19-13-3-2-9(16)6-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeySQISSFZRHYOGIT-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.87
Rot. Bonds2

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

3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide (PubChem CID 107872035) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide
PubChem CID107872035
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H11BrF2N2O/c1-7-10(4-8(15)5-12(7)18)14(20)19-13-3-2-9(16)6-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeySQISSFZRHYOGIT-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.87
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-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
3-amino-5-bromo-N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 107872142
3-amino-5-bromo-N-(3,4-difluorophenyl)-2-methylbenzamide
CID 107872055
3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 107872334
3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide
CID 107873022
2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide
CID 16796170
5-bromo-N-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 2804653
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 60861029
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
CID 43549968
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide (CID 107872035) is 3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide?
The InChIKey is SQISSFZRHYOGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-7-10(4-8(15)5-12(7)18)14(20)19-13-3-2-9(16)6-11(13)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide?
3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide has a molecular weight of 341.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 107872035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).