5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide

C14H10Br2FNO — CID 60739201

IUPAC5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccccc1Br)c1cc(Br)ccc1F
InChIInChI=1S/C14H10Br2FNO/c15-10-5-6-13(17)11(7-10)14(19)18-8-9-3-1-2-4-12(9)16/h1-7H,8H2,(H,18,19)
InChIKeyGJWIKBRDNLLECN-UHFFFAOYSA-N
MW387.05 g/mol
LogP4.28
Rot. Bonds3

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

5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide (PubChem CID 60739201) has the molecular formula C14H10Br2FNO and a molecular weight of 387.05 g/mol. Its IUPAC name is 5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
PubChem CID60739201
Molecular FormulaC14H10Br2FNO
Molecular Weight387.05 g/mol
Exact Mass384.91
IUPAC Name5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccccc1Br)c1cc(Br)ccc1F
InChIInChI=1S/C14H10Br2FNO/c15-10-5-6-13(17)11(7-10)14(19)18-8-9-3-1-2-4-12(9)16/h1-7H,8H2,(H,18,19)
InChIKeyGJWIKBRDNLLECN-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide
CID 30459248
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
CID 107233860
5-bromo-2-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292159
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497
N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide
CID 55025566
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide
CID 63359561
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide (CID 60739201) is 5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide is O=C(NCc1ccccc1Br)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide?
The InChIKey is GJWIKBRDNLLECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO/c15-10-5-6-13(17)11(7-10)14(19)18-8-9-3-1-2-4-12(9)16/h1-7H,8H2,(H,18,19).
What are the key properties of 5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide?
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide has a molecular weight of 387.05 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 60739201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).