2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide

C15H11Br2Cl2NO — CID 114370055

IUPAC2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Br2Cl2NO/c1-8(11-4-3-10(18)7-14(11)19)20-15(21)12-6-9(16)2-5-13(12)17/h2-8H,1H3,(H,20,21)
InChIKeyVTLGNJJDJOZWKV-UHFFFAOYSA-N
MW451.97 g/mol
LogP6.01
Rot. Bonds3

About 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide

2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide (PubChem CID 114370055) has the molecular formula C15H11Br2Cl2NO and a molecular weight of 451.97 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
PubChem CID114370055
Molecular FormulaC15H11Br2Cl2NO
Molecular Weight451.97 g/mol
Exact Mass448.86
IUPAC Name2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Br2Cl2NO/c1-8(11-4-3-10(18)7-14(11)19)20-15(21)12-6-9(16)2-5-13(12)17/h2-8H,1H3,(H,20,21)
InChIKeyVTLGNJJDJOZWKV-UHFFFAOYSA-N
XLogP6.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.97
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
CID 43079074
2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 63500588
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide
CID 106852526
5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
CID 65311511
5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid
CID 114895419
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4876390
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 60628969
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide (CID 114370055) is 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide is CC(NC(=O)c1cc(Br)ccc1Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
The InChIKey is VTLGNJJDJOZWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2Cl2NO/c1-8(11-4-3-10(18)7-14(11)19)20-15(21)12-6-9(16)2-5-13(12)17/h2-8H,1H3,(H,20,21).
What are the key properties of 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide has a molecular weight of 451.97 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide is sourced from PubChem (CID 114370055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).