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

C15H14BrFN2O2 — CID 103296580

IUPAC5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide
SMILESCOc1ccc(Br)c(NC(=O)c2cc(N)cc(C)c2F)c1
InChIInChI=1S/C15H14BrFN2O2/c1-8-5-9(18)6-11(14(8)17)15(20)19-13-7-10(21-2)3-4-12(13)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeySAARMQUUUNJVMQ-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.74
Rot. Bonds3

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

5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide (PubChem CID 103296580) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide
PubChem CID103296580
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide
SMILESCOc1ccc(Br)c(NC(=O)c2cc(N)cc(C)c2F)c1
InChIInChI=1S/C15H14BrFN2O2/c1-8-5-9(18)6-11(14(8)17)15(20)19-13-7-10(21-2)3-4-12(13)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeySAARMQUUUNJVMQ-UHFFFAOYSA-N
XLogP3.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide
CID 107185397
3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide
CID 79757944
5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 103295994
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 103274988
2-amino-N-(2,5-dibromophenyl)-4-methoxybenzamide
CID 115412703
5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103296614
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
N-(2-bromo-5-methoxyphenyl)-2-iodobenzamide
CID 62416238
2-bromo-N-(5-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 2446537
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide (CID 103296580) is 5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide is COc1ccc(Br)c(NC(=O)c2cc(N)cc(C)c2F)c1.
What is the InChIKey of 5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is SAARMQUUUNJVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-8-5-9(18)6-11(14(8)17)15(20)19-13-7-10(21-2)3-4-12(13)16/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide?
5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 353.19 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).