2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide

C14H12BrFN2O — CID 62649187

IUPAC2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cccc(F)c2N)c(Br)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-5-6-12(10(15)7-8)18-14(19)9-3-2-4-11(16)13(9)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyQOBOARXFSZRRAH-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.73
Rot. Bonds2

About 2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide

2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide (PubChem CID 62649187) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
PubChem CID62649187
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cccc(F)c2N)c(Br)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-5-6-12(10(15)7-8)18-14(19)9-3-2-4-11(16)13(9)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyQOBOARXFSZRRAH-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.73
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

2-amino-N-(2-bromo-4-chlorophenyl)-3-fluorobenzamide
CID 81275442
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide
CID 81004240
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
2-[(2-amino-3-bromobenzoyl)amino]-5-methylbenzoic acid
CID 110451428
N-(2-bromo-4-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676274
2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide
CID 62649534
2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 115540011
3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 112574577

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide?
The IUPAC name of 2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide (CID 62649187) is 2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide is Cc1ccc(NC(=O)c2cccc(F)c2N)c(Br)c1.
What is the InChIKey of 2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide?
The InChIKey is QOBOARXFSZRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-5-6-12(10(15)7-8)18-14(19)9-3-2-4-11(16)13(9)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide?
2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide has a molecular weight of 323.17 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 62649187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).