5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide

C15H14BrFN2O — CID 102705048

IUPAC5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(Br)ccc2F)cc1N
InChIInChI=1S/C15H14BrFN2O/c1-8-5-9(2)13(18)7-11(8)15(20)19-14-6-10(16)3-4-12(14)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyKXVULCNDKBHLAA-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.04
Rot. Bonds2

About 5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide

5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide (PubChem CID 102705048) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
PubChem CID102705048
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(Br)ccc2F)cc1N
InChIInChI=1S/C15H14BrFN2O/c1-8-5-9(2)13(18)7-11(8)15(20)19-14-6-10(16)3-4-12(14)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyKXVULCNDKBHLAA-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.04
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-(4-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102704921
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
5-amino-N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 102705790
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62513483
3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
CID 112574878
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide (CID 102705048) is 5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)Nc2cc(Br)ccc2F)cc1N.
What is the InChIKey of 5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide?
The InChIKey is KXVULCNDKBHLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-8-5-9(2)13(18)7-11(8)15(20)19-14-6-10(16)3-4-12(14)17/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide?
5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide has a molecular weight of 337.19 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102705048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).