3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide

C13H7BrCl2FNO — CID 107951647

IUPAC3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C13H7BrCl2FNO/c14-8-4-1-3-7(11(8)17)13(19)18-12-9(15)5-2-6-10(12)16/h1-6H,(H,18,19)
InChIKeyRAGDCBCQRQLBHE-UHFFFAOYSA-N
MW363.01 g/mol
LogP5.15
Rot. Bonds2

About 3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide

3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide (PubChem CID 107951647) has the molecular formula C13H7BrCl2FNO and a molecular weight of 363.01 g/mol. Its IUPAC name is 3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
PubChem CID107951647
Molecular FormulaC13H7BrCl2FNO
Molecular Weight363.01 g/mol
Exact Mass360.91
IUPAC Name3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C13H7BrCl2FNO/c14-8-4-1-3-7(11(8)17)13(19)18-12-9(15)5-2-6-10(12)16/h1-6H,(H,18,19)
InChIKeyRAGDCBCQRQLBHE-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.01
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 106547626
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
CID 107953841
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 106544218
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
3-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 106547569
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107949226

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide (CID 107951647) is 3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide is O=C(Nc1c(Cl)cccc1Cl)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide?
The InChIKey is RAGDCBCQRQLBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO/c14-8-4-1-3-7(11(8)17)13(19)18-12-9(15)5-2-6-10(12)16/h1-6H,(H,18,19).
What are the key properties of 3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide?
3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide has a molecular weight of 363.01 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 107951647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).