4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide

C14H12BrFN2O — CID 82761895

IUPAC4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(N)c(F)c2)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-2-4-10(15)13(6-8)18-14(19)9-3-5-12(17)11(16)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyIZEUYAFLGSQQKW-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.73
Rot. Bonds2

About 4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide

4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide (PubChem CID 82761895) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
PubChem CID82761895
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(N)c(F)c2)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-2-4-10(15)13(6-8)18-14(19)9-3-5-12(17)11(16)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyIZEUYAFLGSQQKW-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

3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
CID 61093746
N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107033697
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
CID 82707112
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 63188157
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide (CID 82761895) is 4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide is Cc1ccc(Br)c(NC(=O)c2ccc(N)c(F)c2)c1.
What is the InChIKey of 4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide?
The InChIKey is IZEUYAFLGSQQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-2-4-10(15)13(6-8)18-14(19)9-3-5-12(17)11(16)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide?
4-amino-N-(2-bromo-5-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 4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 82761895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).