2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide

C15H12Br2FNO — CID 103853140

IUPAC2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2cc(Br)ccc2F)c1Br
InChIInChI=1S/C15H12Br2FNO/c1-9-3-2-4-12(14(9)17)15(20)19-8-10-7-11(16)5-6-13(10)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyOPANDIAEXYFKAW-UHFFFAOYSA-N
MW401.07 g/mol
LogP4.59
Rot. Bonds3

About 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide

2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide (PubChem CID 103853140) has the molecular formula C15H12Br2FNO and a molecular weight of 401.07 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
PubChem CID103853140
Molecular FormulaC15H12Br2FNO
Molecular Weight401.07 g/mol
Exact Mass398.93
IUPAC Name2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2cc(Br)ccc2F)c1Br
InChIInChI=1S/C15H12Br2FNO/c1-9-3-2-4-12(14(9)17)15(20)19-8-10-7-11(16)5-6-13(10)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyOPANDIAEXYFKAW-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.07
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
N-[(5-bromo-2-fluorophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283617
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
CID 103855381
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 115497663
2-bromo-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 107982625
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide?
The IUPAC name of 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide (CID 103853140) is 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2cc(Br)ccc2F)c1Br.
What is the InChIKey of 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide?
The InChIKey is OPANDIAEXYFKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO/c1-9-3-2-4-12(14(9)17)15(20)19-8-10-7-11(16)5-6-13(10)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide?
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide has a molecular weight of 401.07 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 103853140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).