2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide

C14H12BrFN2O — CID 79722420

IUPAC2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1N)c1cccc(F)c1
InChIInChI=1S/C14H12BrFN2O/c1-18(11-4-2-3-10(16)8-11)14(19)12-6-5-9(15)7-13(12)17/h2-8H,17H2,1H3
InChIKeyDZJCUHBYYYCKOT-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.45
Rot. Bonds2

About 2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide

2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 79722420) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
PubChem CID79722420
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1N)c1cccc(F)c1
InChIInChI=1S/C14H12BrFN2O/c1-18(11-4-2-3-10(16)8-11)14(19)12-6-5-9(15)7-13(12)17/h2-8H,17H2,1H3
InChIKeyDZJCUHBYYYCKOT-UHFFFAOYSA-N
XLogP3.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 79723280
2-amino-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733131
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide
CID 112575829
2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
CID 63110478
N-(3-aminophenyl)-4-bromo-2-chloro-N-methylbenzamide
CID 61295815
2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide
CID 81003545
N-(3-aminophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107013206
(2-amino-4-bromophenyl)-(3-fluorophenyl)methanone
CID 116591874
2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide
CID 79721752
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide (CID 79722420) is 2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide is CN(C(=O)c1ccc(Br)cc1N)c1cccc(F)c1.
What is the InChIKey of 2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is DZJCUHBYYYCKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-18(11-4-2-3-10(16)8-11)14(19)12-6-5-9(15)7-13(12)17/h2-8H,17H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide?
2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 323.17 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 79722420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).