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

C14H9Br2ClFNO — CID 107999117

IUPAC3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H9Br2ClFNO/c15-10-2-4-13(18)9(5-10)7-19-14(20)8-1-3-12(17)11(16)6-8/h1-6H,7H2,(H,19,20)
InChIKeyDCWZDSUZNKDIJP-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.93
Rot. Bonds3

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

3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide (PubChem CID 107999117) has the molecular formula C14H9Br2ClFNO and a molecular weight of 421.49 g/mol. Its IUPAC name is 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide
PubChem CID107999117
Molecular FormulaC14H9Br2ClFNO
Molecular Weight421.49 g/mol
Exact Mass418.87
IUPAC Name3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H9Br2ClFNO/c15-10-2-4-13(18)9(5-10)7-19-14(20)8-1-3-12(17)11(16)6-8/h1-6H,7H2,(H,19,20)
InChIKeyDCWZDSUZNKDIJP-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107987901
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide
CID 90720348
N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787157
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
CID 113264962
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide?
The IUPAC name of 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide (CID 107999117) is 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide?
The canonical SMILES for 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide is O=C(NCc1cc(Br)ccc1F)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide?
The InChIKey is DCWZDSUZNKDIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClFNO/c15-10-2-4-13(18)9(5-10)7-19-14(20)8-1-3-12(17)11(16)6-8/h1-6H,7H2,(H,19,20).
What are the key properties of 3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide?
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide has a molecular weight of 421.49 g/mol, XLogP of 4.93, 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]-4-chlorobenzamide is sourced from PubChem (CID 107999117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).