3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide

C15H11BrClF2NO — CID 103976921

IUPAC3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Br)c1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11BrClF2NO/c1-8(9-5-6-12(18)13(19)7-9)20-15(21)10-3-2-4-11(16)14(10)17/h2-8H,1H3,(H,20,21)
InChIKeyZGPVFZPRMVIAFK-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.87
Rot. Bonds3

About 3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide

3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide (PubChem CID 103976921) has the molecular formula C15H11BrClF2NO and a molecular weight of 374.61 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
PubChem CID103976921
Molecular FormulaC15H11BrClF2NO
Molecular Weight374.61 g/mol
Exact Mass372.97
IUPAC Name3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Br)c1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11BrClF2NO/c1-8(9-5-6-12(18)13(19)7-9)20-15(21)10-3-2-4-11(16)14(10)17/h2-8H,1H3,(H,20,21)
InChIKeyZGPVFZPRMVIAFK-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
CID 115678201
3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 103985509
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298
2-bromo-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 86669507
2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 62073815
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113362339
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 146985648

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide (CID 103976921) is 3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide is CC(NC(=O)c1cccc(Br)c1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of 3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide?
The InChIKey is ZGPVFZPRMVIAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF2NO/c1-8(9-5-6-12(18)13(19)7-9)20-15(21)10-3-2-4-11(16)14(10)17/h2-8H,1H3,(H,20,21).
What are the key properties of 3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide?
3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide has a molecular weight of 374.61 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide is sourced from PubChem (CID 103976921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).