3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide

C15H11BrCl3NO — CID 107951762

IUPAC3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)cc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11BrCl3NO/c1-8(9-2-3-13(18)14(19)6-9)20-15(21)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H,20,21)
InChIKeyRPXQFEMWCYGXON-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.90
Rot. Bonds3

About 3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide

3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide (PubChem CID 107951762) has the molecular formula C15H11BrCl3NO and a molecular weight of 407.52 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
PubChem CID107951762
Molecular FormulaC15H11BrCl3NO
Molecular Weight407.52 g/mol
Exact Mass404.91
IUPAC Name3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)cc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11BrCl3NO/c1-8(9-2-3-13(18)14(19)6-9)20-15(21)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H,20,21)
InChIKeyRPXQFEMWCYGXON-UHFFFAOYSA-N
XLogP5.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide
CID 107952881
3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 107951925
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
CID 61249263
3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
CID 103826399
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 60629480
3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 107939725
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
3-bromo-5-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103826943
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide (CID 107951762) is 3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide is CC(NC(=O)c1cc(Cl)cc(Br)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The InChIKey is RPXQFEMWCYGXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl3NO/c1-8(9-2-3-13(18)14(19)6-9)20-15(21)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H,20,21).
What are the key properties of 3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide has a molecular weight of 407.52 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide is sourced from PubChem (CID 107951762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).