2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide

C15H14BrFN2O — CID 43132657

IUPAC2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C15H14BrFN2O/c1-8-5-10(16)6-9(2)14(8)19-15(20)12-7-11(17)3-4-13(12)18/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeySZJXRUUVHVOTNM-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.04
Rot. Bonds2

About 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide

2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide (PubChem CID 43132657) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
PubChem CID43132657
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C15H14BrFN2O/c1-8-5-10(16)6-9(2)14(8)19-15(20)12-7-11(17)3-4-13(12)18/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeySZJXRUUVHVOTNM-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
CID 43549968
2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
CID 28520538
N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
CID 63047885
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
CID 102704950
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide
CID 43547708
3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide
CID 115930129
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide
CID 43549986
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide?
The IUPAC name of 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide (CID 43132657) is 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide is Cc1cc(Br)cc(C)c1NC(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide?
The InChIKey is SZJXRUUVHVOTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-8-5-10(16)6-9(2)14(8)19-15(20)12-7-11(17)3-4-13(12)18/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide?
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide has a molecular weight of 337.19 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide is sourced from PubChem (CID 43132657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).