3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide

C14H9BrClF2NO — CID 103707226

IUPAC3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H9BrClF2NO/c15-10-6-9(2-4-12(10)17)14(20)19-7-8-1-3-13(18)11(16)5-8/h1-6H,7H2,(H,19,20)
InChIKeySAILQHQJAQXWHR-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.31
Rot. Bonds3

About 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide

3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide (PubChem CID 103707226) has the molecular formula C14H9BrClF2NO and a molecular weight of 360.59 g/mol. Its IUPAC name is 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
PubChem CID103707226
Molecular FormulaC14H9BrClF2NO
Molecular Weight360.59 g/mol
Exact Mass358.95
IUPAC Name3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H9BrClF2NO/c15-10-6-9(2-4-12(10)17)14(20)19-7-8-1-3-13(18)11(16)5-8/h1-6H,7H2,(H,19,20)
InChIKeySAILQHQJAQXWHR-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107028470
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
CID 107075151
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluoropyridine-4-carboxamide
CID 62537287
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 103706462

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide (CID 103707226) is 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide is O=C(NCc1ccc(F)c(Cl)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide?
The InChIKey is SAILQHQJAQXWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2NO/c15-10-6-9(2-4-12(10)17)14(20)19-7-8-1-3-13(18)11(16)5-8/h1-6H,7H2,(H,19,20).
What are the key properties of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide?
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide has a molecular weight of 360.59 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 103707226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).