3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide

C15H11BrClF2NO — CID 103989302

IUPAC3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C15H11BrClF2NO/c16-13-3-1-2-12(14(13)17)15(21)20-5-4-9-6-10(18)8-11(19)7-9/h1-3,6-8H,4-5H2,(H,20,21)
InChIKeyGACSXYHVJCRHHT-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.35
Rot. Bonds4

About 3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide

3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide (PubChem CID 103989302) has the molecular formula C15H11BrClF2NO and a molecular weight of 374.61 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide
PubChem CID103989302
Molecular FormulaC15H11BrClF2NO
Molecular Weight374.61 g/mol
Exact Mass372.97
IUPAC Name3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C15H11BrClF2NO/c16-13-3-1-2-12(14(13)17)15(21)20-5-4-9-6-10(18)8-11(19)7-9/h1-3,6-8H,4-5H2,(H,20,21)
InChIKeyGACSXYHVJCRHHT-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide
CID 114372223
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide
CID 106842310
3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 103985523
5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide
CID 113228849
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
4-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006274
2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793555
1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 113403008

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide (CID 103989302) is 3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide is O=C(NCCc1cc(F)cc(F)c1)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide?
The InChIKey is GACSXYHVJCRHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF2NO/c16-13-3-1-2-12(14(13)17)15(21)20-5-4-9-6-10(18)8-11(19)7-9/h1-3,6-8H,4-5H2,(H,20,21).
What are the key properties of 3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide?
3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide has a molecular weight of 374.61 g/mol, XLogP of 4.35, 4 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-[2-(3,5-difluorophenyl)ethyl]benzamide is sourced from PubChem (CID 103989302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).