3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide

C15H12BrF2NO2 — CID 63372843

IUPAC3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(F)ccc2F)cc1Br
InChIInChI=1S/C15H12BrF2NO2/c1-21-14-5-2-9(7-12(14)16)15(20)19-8-10-6-11(17)3-4-13(10)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZXNFFPNBCCPKMQ-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.67
Rot. Bonds4

About 3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide

3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide (PubChem CID 63372843) has the molecular formula C15H12BrF2NO2 and a molecular weight of 356.17 g/mol. Its IUPAC name is 3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
PubChem CID63372843
Molecular FormulaC15H12BrF2NO2
Molecular Weight356.17 g/mol
Exact Mass355.00
IUPAC Name3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(F)ccc2F)cc1Br
InChIInChI=1S/C15H12BrF2NO2/c1-21-14-5-2-9(7-12(14)16)15(20)19-8-10-6-11(17)3-4-13(10)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZXNFFPNBCCPKMQ-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

N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide
CID 62952153
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
N-[(2,5-difluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107030045
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide
CID 63790510
4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 102851692
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide (CID 63372843) is 3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2cc(F)ccc2F)cc1Br.
What is the InChIKey of 3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide?
The InChIKey is ZXNFFPNBCCPKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2/c1-21-14-5-2-9(7-12(14)16)15(20)19-8-10-6-11(17)3-4-13(10)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide?
3-bromo-N-[(2,5-difluorophenyl)methyl]-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 3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 63372843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).