3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide

C15H12BrClFNO — CID 107952279

IUPAC3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide
SMILESCCN(C(=O)c1cc(Cl)cc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C15H12BrClFNO/c1-2-19(14-5-3-4-13(18)9-14)15(20)10-6-11(16)8-12(17)7-10/h3-9H,2H2,1H3
InChIKeyXWVKTMOUTIHGPA-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.91
Rot. Bonds3

About 3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide

3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide (PubChem CID 107952279) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide
PubChem CID107952279
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide
SMILESCCN(C(=O)c1cc(Cl)cc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C15H12BrClFNO/c1-2-19(14-5-3-4-13(18)9-14)15(20)10-6-11(16)8-12(17)7-10/h3-9H,2H2,1H3
InChIKeyXWVKTMOUTIHGPA-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763
3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide
CID 107952307
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
N-(3-aminophenyl)-3-bromo-5-chloro-N-propylbenzamide
CID 107937520
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
CID 62179424
3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 66482587
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
4-bromo-N-ethyl-2,6-difluoro-N-(3-hydroxyphenyl)benzamide
CID 107735611
N-ethyl-N-(3-fluorophenyl)-1H-indazole-6-carboxamide
CID 62905806

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide (CID 107952279) is 3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide is CCN(C(=O)c1cc(Cl)cc(Br)c1)c1cccc(F)c1.
What is the InChIKey of 3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide?
The InChIKey is XWVKTMOUTIHGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-2-19(14-5-3-4-13(18)9-14)15(20)10-6-11(16)8-12(17)7-10/h3-9H,2H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide?
3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide has a molecular weight of 356.62 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 107952279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).