4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide

C14H12BrFN2O — CID 43555167

IUPAC4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(Br)ccc2F)ccc1N
InChIInChI=1S/C14H12BrFN2O/c1-8-6-9(2-5-12(8)17)14(19)18-13-7-10(15)3-4-11(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyDDXQXUFLZQWVJX-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.73
Rot. Bonds2

About 4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide

4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide (PubChem CID 43555167) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
PubChem CID43555167
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(Br)ccc2F)ccc1N
InChIInChI=1S/C14H12BrFN2O/c1-8-6-9(2-5-12(8)17)14(19)18-13-7-10(15)3-4-11(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyDDXQXUFLZQWVJX-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

5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102705048
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
4-amino-N-(5-bromo-2-cyanophenyl)-3-methylbenzamide
CID 107796910
N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103955653
N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107023428
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
CID 62680442
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
N-(2-amino-4,5-dimethylphenyl)-4-fluoro-3-methylbenzamide
CID 63209761
4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide
CID 107796954
N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186568
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide (CID 43555167) is 4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(Br)ccc2F)ccc1N.
What is the InChIKey of 4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide?
The InChIKey is DDXQXUFLZQWVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-6-9(2-5-12(8)17)14(19)18-13-7-10(15)3-4-11(13)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide?
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide 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-(5-bromo-2-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 43555167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).