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

C14H9Br2F2NO — CID 63529302

IUPAC3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H9Br2F2NO/c15-10-1-2-13(18)9(4-10)7-19-14(20)8-3-11(16)6-12(17)5-8/h1-6H,7H2,(H,19,20)
InChIKeyWOWNYOOCKVWPFS-UHFFFAOYSA-N
MW405.04 g/mol
LogP4.42
Rot. Bonds3

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

3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide (PubChem CID 63529302) has the molecular formula C14H9Br2F2NO and a molecular weight of 405.04 g/mol. Its IUPAC name is 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
PubChem CID63529302
Molecular FormulaC14H9Br2F2NO
Molecular Weight405.04 g/mol
Exact Mass402.90
IUPAC Name3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H9Br2F2NO/c15-10-1-2-13(18)9(4-10)7-19-14(20)8-3-11(16)6-12(17)5-8/h1-6H,7H2,(H,19,20)
InChIKeyWOWNYOOCKVWPFS-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.04
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787157
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107987901
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 107999117
N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
CID 113264962
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948922
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide (CID 63529302) is 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide is O=C(NCc1cc(Br)ccc1F)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide?
The InChIKey is WOWNYOOCKVWPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F2NO/c15-10-1-2-13(18)9(4-10)7-19-14(20)8-3-11(16)6-12(17)5-8/h1-6H,7H2,(H,19,20).
What are the key properties of 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide?
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide has a molecular weight of 405.04 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide is sourced from PubChem (CID 63529302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).