2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide

C16H15BrFNO2 — CID 103853379

IUPAC2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide
SMILESCCOc1cc(F)ccc1NC(=O)c1cccc(C)c1Br
InChIInChI=1S/C16H15BrFNO2/c1-3-21-14-9-11(18)7-8-13(14)19-16(20)12-6-4-5-10(2)15(12)17/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyZWIWLRDKAHJBSP-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.55
Rot. Bonds4

About 2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide

2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide (PubChem CID 103853379) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide
PubChem CID103853379
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide
SMILESCCOc1cc(F)ccc1NC(=O)c1cccc(C)c1Br
InChIInChI=1S/C16H15BrFNO2/c1-3-21-14-9-11(18)7-8-13(14)19-16(20)12-6-4-5-10(2)15(12)17/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyZWIWLRDKAHJBSP-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

N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80711042
5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide
CID 65311452
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
5-bromo-2-chloro-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 60794303
N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide
CID 112846294
2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
CID 103706921
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740
4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 47268272
2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
CID 103855381
2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 103857092
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide (CID 103853379) is 2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide is CCOc1cc(F)ccc1NC(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide?
The InChIKey is ZWIWLRDKAHJBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-3-21-14-9-11(18)7-8-13(14)19-16(20)12-6-4-5-10(2)15(12)17/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide?
2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-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 2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 103853379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).