N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide

C15H12BrF2NO2 — CID 60736763

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(Br)ccc2F)cc1F
InChIInChI=1S/C15H12BrF2NO2/c1-21-14-5-2-9(7-13(14)18)15(20)19-8-10-6-11(16)3-4-12(10)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyVJUGTVGLWHFFNC-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.67
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide

N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide (PubChem CID 60736763) has the molecular formula C15H12BrF2NO2 and a molecular weight of 356.17 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
PubChem CID60736763
Molecular FormulaC15H12BrF2NO2
Molecular Weight356.17 g/mol
Exact Mass355.00
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(Br)ccc2F)cc1F
InChIInChI=1S/C15H12BrF2NO2/c1-21-14-5-2-9(7-13(14)18)15(20)19-8-10-6-11(16)3-4-12(10)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyVJUGTVGLWHFFNC-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 63372843
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107987901
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 60794568
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 107999117
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide (CID 60736763) is N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCc2cc(Br)ccc2F)cc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is VJUGTVGLWHFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2/c1-21-14-5-2-9(7-13(14)18)15(20)19-8-10-6-11(16)3-4-12(10)17/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 356.17 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 60736763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).