2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide

C14H10Br2FNO — CID 114370000

IUPAC2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br2FNO/c1-8-6-10(17)3-5-13(8)18-14(19)11-7-9(15)2-4-12(11)16/h2-7H,1H3,(H,18,19)
InChIKeyVGWWUADQDYNLAQ-UHFFFAOYSA-N
MW387.05 g/mol
LogP4.91
Rot. Bonds2

About 2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide

2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide (PubChem CID 114370000) has the molecular formula C14H10Br2FNO and a molecular weight of 387.05 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
PubChem CID114370000
Molecular FormulaC14H10Br2FNO
Molecular Weight387.05 g/mol
Exact Mass384.91
IUPAC Name2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br2FNO/c1-8-6-10(17)3-5-13(8)18-14(19)11-7-9(15)2-4-12(11)16/h2-7H,1H3,(H,18,19)
InChIKeyVGWWUADQDYNLAQ-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
CID 114370020
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
CID 114370697
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide (CID 114370000) is 2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide is Cc1cc(F)ccc1NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide?
The InChIKey is VGWWUADQDYNLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO/c1-8-6-10(17)3-5-13(8)18-14(19)11-7-9(15)2-4-12(11)16/h2-7H,1H3,(H,18,19).
What are the key properties of 2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide?
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide has a molecular weight of 387.05 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 114370000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).