2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide

C14H9Br3FNO — CID 62509199

IUPAC2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2c(Br)cc(Br)cc2Br)c1
InChIInChI=1S/C14H9Br3FNO/c1-7-2-3-12(18)9(4-7)14(20)19-13-10(16)5-8(15)6-11(13)17/h2-6H,1H3,(H,19,20)
InChIKeyIAIBBQYMIRYEQO-UHFFFAOYSA-N
MW465.94 g/mol
LogP5.67
Rot. Bonds2

About 2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide

2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide (PubChem CID 62509199) has the molecular formula C14H9Br3FNO and a molecular weight of 465.94 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide
PubChem CID62509199
Molecular FormulaC14H9Br3FNO
Molecular Weight465.94 g/mol
Exact Mass462.82
IUPAC Name2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2c(Br)cc(Br)cc2Br)c1
InChIInChI=1S/C14H9Br3FNO/c1-7-2-3-12(18)9(4-7)14(20)19-13-10(16)5-8(15)6-11(13)17/h2-6H,1H3,(H,19,20)
InChIKeyIAIBBQYMIRYEQO-UHFFFAOYSA-N
XLogP5.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.94
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 63999813
4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide
CID 101287009
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
CID 62515133
N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712
N-(2-bromo-4,6-difluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62510189

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide (CID 62509199) is 2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide is Cc1ccc(F)c(C(=O)Nc2c(Br)cc(Br)cc2Br)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide?
The InChIKey is IAIBBQYMIRYEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3FNO/c1-7-2-3-12(18)9(4-7)14(20)19-13-10(16)5-8(15)6-11(13)17/h2-6H,1H3,(H,19,20).
What are the key properties of 2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide?
2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide has a molecular weight of 465.94 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide is sourced from PubChem (CID 62509199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).