5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide

C15H14BrFN2O — CID 103295994

IUPAC5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
SMILESCc1ccc(Br)cc1NC(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C15H14BrFN2O/c1-8-3-4-10(16)6-13(8)19-15(20)12-7-11(18)5-9(2)14(12)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyLGMMOLRFFROPCE-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.04
Rot. Bonds2

About 5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide

5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide (PubChem CID 103295994) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
PubChem CID103295994
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
SMILESCc1ccc(Br)cc1NC(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C15H14BrFN2O/c1-8-3-4-10(16)6-13(8)19-15(20)12-7-11(18)5-9(2)14(12)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyLGMMOLRFFROPCE-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

5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 103296247
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
CID 43805804
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 103296580
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 103295873
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296055
5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103296614

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide (CID 103295994) is 5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide is Cc1ccc(Br)cc1NC(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is LGMMOLRFFROPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-8-3-4-10(16)6-13(8)19-15(20)12-7-11(18)5-9(2)14(12)17/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide?
5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-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 5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103295994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).