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

C14H9BrF3NO — CID 62650266

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1cccc(F)c1F
InChIInChI=1S/C14H9BrF3NO/c15-9-4-5-11(16)8(6-9)7-19-14(20)10-2-1-3-12(17)13(10)18/h1-6H,7H2,(H,19,20)
InChIKeyIWSSVYPKSATIAX-UHFFFAOYSA-N
MW344.13 g/mol
LogP3.80
Rot. Bonds3

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

N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide (PubChem CID 62650266) has the molecular formula C14H9BrF3NO and a molecular weight of 344.13 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
PubChem CID62650266
Molecular FormulaC14H9BrF3NO
Molecular Weight344.13 g/mol
Exact Mass342.98
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1cccc(F)c1F
InChIInChI=1S/C14H9BrF3NO/c15-9-4-5-11(16)8(6-9)7-19-14(20)10-2-1-3-12(17)13(10)18/h1-6H,7H2,(H,19,20)
InChIKeyIWSSVYPKSATIAX-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
CID 103853140
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
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
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
N-[(5-bromo-2-fluorophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283617

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide (CID 62650266) is N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide is O=C(NCc1cc(Br)ccc1F)c1cccc(F)c1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide?
The InChIKey is IWSSVYPKSATIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO/c15-9-4-5-11(16)8(6-9)7-19-14(20)10-2-1-3-12(17)13(10)18/h1-6H,7H2,(H,19,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide has a molecular weight of 344.13 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide is sourced from PubChem (CID 62650266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).