2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide

C15H10BrFN2O2 — CID 43175442

IUPAC2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide
SMILESN#CCOc1cccc(NC(=O)c2ccc(F)cc2Br)c1
InChIInChI=1S/C15H10BrFN2O2/c16-14-8-10(17)4-5-13(14)15(20)19-11-2-1-3-12(9-11)21-7-6-18/h1-5,8-9H,7H2,(H,19,20)
InChIKeyGOPMNFOVIHNPFI-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.74
Rot. Bonds4

About 2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide

2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide (PubChem CID 43175442) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide
PubChem CID43175442
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide
SMILESN#CCOc1cccc(NC(=O)c2ccc(F)cc2Br)c1
InChIInChI=1S/C15H10BrFN2O2/c16-14-8-10(17)4-5-13(14)15(20)19-11-2-1-3-12(9-11)21-7-6-18/h1-5,8-9H,7H2,(H,19,20)
InChIKeyGOPMNFOVIHNPFI-UHFFFAOYSA-N
XLogP3.74
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43805481
5-amino-2-bromo-N-[3-(cyanomethoxy)phenyl]benzamide
CID 115297134
2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 28739689
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
4-bromo-3-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 80973651
3-bromo-5-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 103826633
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
N-[4-[3-(cyanomethoxy)anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55752228
5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide
CID 43369133
2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide
CID 103754604
[3-(cyanomethoxy)phenyl]urea
CID 43369607

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide (CID 43175442) is 2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide is N#CCOc1cccc(NC(=O)c2ccc(F)cc2Br)c1.
What is the InChIKey of 2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide?
The InChIKey is GOPMNFOVIHNPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c16-14-8-10(17)4-5-13(14)15(20)19-11-2-1-3-12(9-11)21-7-6-18/h1-5,8-9H,7H2,(H,19,20).
What are the key properties of 2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide?
2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide has a molecular weight of 349.16 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 43175442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).