4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide

C13H7BrClF2NO — CID 103774690

IUPAC4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1ccc(Br)cc1F
InChIInChI=1S/C13H7BrClF2NO/c14-7-1-2-11(12(17)3-7)13(19)18-10-5-8(15)4-9(16)6-10/h1-6H,(H,18,19)
InChIKeySZKGPVSEJKWGSG-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.63
Rot. Bonds2

About 4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide

4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide (PubChem CID 103774690) has the molecular formula C13H7BrClF2NO and a molecular weight of 346.56 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
PubChem CID103774690
Molecular FormulaC13H7BrClF2NO
Molecular Weight346.56 g/mol
Exact Mass344.94
IUPAC Name4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1ccc(Br)cc1F
InChIInChI=1S/C13H7BrClF2NO/c14-7-1-2-11(12(17)3-7)13(19)18-10-5-8(15)4-9(16)6-10/h1-6H,(H,18,19)
InChIKeySZKGPVSEJKWGSG-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
N-(3-chloro-5-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676875
5-bromo-N-(3-chloro-5-fluorophenyl)pyridine-2-carboxamide
CID 113259351
2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
CID 113345345
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
CID 33154064
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
N-(3-chloro-5-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107671680
4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43100929
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
CID 24708773
3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide
CID 107873288
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide (CID 103774690) is 4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide is O=C(Nc1cc(F)cc(Cl)c1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide?
The InChIKey is SZKGPVSEJKWGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF2NO/c14-7-1-2-11(12(17)3-7)13(19)18-10-5-8(15)4-9(16)6-10/h1-6H,(H,18,19).
What are the key properties of 4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide?
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide has a molecular weight of 346.56 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 103774690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).