5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide

C16H15BrFNO2 — CID 65311452

IUPAC5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide
SMILESCCOc1cc(F)ccc1NC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C16H15BrFNO2/c1-3-21-15-9-12(18)6-7-14(15)19-16(20)13-8-11(17)5-4-10(13)2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyRFWONCMJFNFWQB-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.55
Rot. Bonds4

About 5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide

5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide (PubChem CID 65311452) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide
PubChem CID65311452
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide
SMILESCCOc1cc(F)ccc1NC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C16H15BrFNO2/c1-3-21-15-9-12(18)6-7-14(15)19-16(20)13-8-11(17)5-4-10(13)2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyRFWONCMJFNFWQB-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 60794303
2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide
CID 103853379
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80711042
N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 47268272
2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide
CID 103885271
3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
CID 103706921
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117
N-(2,4-dibromophenyl)-2-ethoxybenzamide
CID 3649234

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide (CID 65311452) is 5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide is CCOc1cc(F)ccc1NC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide?
The InChIKey is RFWONCMJFNFWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-3-21-15-9-12(18)6-7-14(15)19-16(20)13-8-11(17)5-4-10(13)2/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide?
5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide has a molecular weight of 352.20 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 65311452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).