N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide

C15H14BrFN2O — CID 116813658

IUPACN-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(N)cc(C)cc2Br)c(F)c1
InChIInChI=1S/C15H14BrFN2O/c1-8-3-4-10(12(17)6-8)15(20)19-14-11(16)5-9(2)7-13(14)18/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyHKCIJNJDRPFJBI-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.04
Rot. Bonds2

About N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide

N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide (PubChem CID 116813658) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
PubChem CID116813658
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(N)cc(C)cc2Br)c(F)c1
InChIInChI=1S/C15H14BrFN2O/c1-8-3-4-10(12(17)6-8)15(20)19-14-11(16)5-9(2)7-13(14)18/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyHKCIJNJDRPFJBI-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'}

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Related Compounds

N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 104814325
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
CID 62504201
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 62509199
N-(2-bromo-4-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676274
N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 116813696
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide (CID 116813658) is N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2c(N)cc(C)cc2Br)c(F)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide?
The InChIKey is HKCIJNJDRPFJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-8-3-4-10(12(17)6-8)15(20)19-14-11(16)5-9(2)7-13(14)18/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide?
N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide 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 N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 116813658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).