4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide

C14H11BrF2N2O — CID 102852303

IUPAC4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C14H11BrF2N2O/c1-7-4-8(18)2-3-9(7)14(20)19-13-5-10(15)11(16)6-12(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyPPUVCJRXQZXDDV-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.87
Rot. Bonds2

About 4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide

4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide (PubChem CID 102852303) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide
PubChem CID102852303
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C14H11BrF2N2O/c1-7-4-8(18)2-3-9(7)14(20)19-13-5-10(15)11(16)6-12(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyPPUVCJRXQZXDDV-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755
N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide
CID 102854031
N-(5-amino-2-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107670559
N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
CID 103807594
3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102852339
2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 102854918
N-(4-amino-2-methylphenyl)-2,4-difluoro-5-methylbenzamide
CID 115737618
4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
CID 107794653
4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide
CID 103863779
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102848004
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide?
The IUPAC name of 4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide (CID 102852303) is 4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide?
The canonical SMILES for 4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide is Cc1cc(N)ccc1C(=O)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of 4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide?
The InChIKey is PPUVCJRXQZXDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-7-4-8(18)2-3-9(7)14(20)19-13-5-10(15)11(16)6-12(13)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide?
4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide has a molecular weight of 341.16 g/mol, XLogP of 3.87, 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-2,4-difluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 102852303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).