2-bromo-4-fluoro-N-(4-formylphenyl)benzamide

C14H9BrFNO2 — CID 106912100

IUPAC2-bromo-4-fluoro-N-(4-formylphenyl)benzamide
SMILESO=Cc1ccc(NC(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H9BrFNO2/c15-13-7-10(16)3-6-12(13)14(19)17-11-4-1-9(8-18)2-5-11/h1-8H,(H,17,19)
InChIKeyRJTFNOSQARGMLM-UHFFFAOYSA-N
MW322.13 g/mol
LogP3.65
Rot. Bonds3

About 2-bromo-4-fluoro-N-(4-formylphenyl)benzamide

2-bromo-4-fluoro-N-(4-formylphenyl)benzamide (PubChem CID 106912100) has the molecular formula C14H9BrFNO2 and a molecular weight of 322.13 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(4-formylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(4-formylphenyl)benzamide
PubChem CID106912100
Molecular FormulaC14H9BrFNO2
Molecular Weight322.13 g/mol
Exact Mass320.98
IUPAC Name2-bromo-4-fluoro-N-(4-formylphenyl)benzamide
SMILESO=Cc1ccc(NC(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H9BrFNO2/c15-13-7-10(16)3-6-12(13)14(19)17-11-4-1-9(8-18)2-5-11/h1-8H,(H,17,19)
InChIKeyRJTFNOSQARGMLM-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.13
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloro-N-(4-formylphenyl)benzamide
CID 107987879
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide
CID 106912364
2-bromo-N-[4-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 9273476
2-bromo-4-fluoro-N-(4-nitrophenyl)benzamide
CID 18197888
3-bromo-2-fluoro-N-(4-formylphenyl)benzamide
CID 114019860
2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 9193061
2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 28739689
2-bromo-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114839990
2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188165
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(4-formylphenyl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(4-formylphenyl)benzamide (CID 106912100) is 2-bromo-4-fluoro-N-(4-formylphenyl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(4-formylphenyl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(4-formylphenyl)benzamide is O=Cc1ccc(NC(=O)c2ccc(F)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-fluoro-N-(4-formylphenyl)benzamide?
The InChIKey is RJTFNOSQARGMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO2/c15-13-7-10(16)3-6-12(13)14(19)17-11-4-1-9(8-18)2-5-11/h1-8H,(H,17,19).
What are the key properties of 2-bromo-4-fluoro-N-(4-formylphenyl)benzamide?
2-bromo-4-fluoro-N-(4-formylphenyl)benzamide has a molecular weight of 322.13 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(4-formylphenyl)benzamide is sourced from PubChem (CID 106912100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).