5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide

C16H14BrCl2NO2 — CID 17351367

IUPAC5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14BrCl2NO2/c1-2-7-22-15-6-3-10(17)8-12(15)16(21)20-14-5-4-11(18)9-13(14)19/h3-6,8-9H,2,7H2,1H3,(H,20,21)
InChIKeyCEINOGCCRRXJCL-UHFFFAOYSA-N
MW403.10 g/mol
LogP5.80
Rot. Bonds5

About 5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide

5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide (PubChem CID 17351367) has the molecular formula C16H14BrCl2NO2 and a molecular weight of 403.10 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide
PubChem CID17351367
Molecular FormulaC16H14BrCl2NO2
Molecular Weight403.10 g/mol
Exact Mass400.96
IUPAC Name5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14BrCl2NO2/c1-2-7-22-15-6-3-10(17)8-12(15)16(21)20-14-5-4-11(18)9-13(14)19/h3-6,8-9H,2,7H2,1H3,(H,20,21)
InChIKeyCEINOGCCRRXJCL-UHFFFAOYSA-N
XLogP5.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.10
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
5-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]-2-hexoxybenzamide
CID 17343583
5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide
CID 54787114
5-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17350952
5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate
CID 9320369
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
5-bromo-N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]-2-propoxybenzamide
CID 17352377
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide
CID 46760619
3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide
CID 4959418
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide?
The IUPAC name of 5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide (CID 17351367) is 5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide.
What is the SMILES notation for 5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide?
The canonical SMILES for 5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide is CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide?
The InChIKey is CEINOGCCRRXJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO2/c1-2-7-22-15-6-3-10(17)8-12(15)16(21)20-14-5-4-11(18)9-13(14)19/h3-6,8-9H,2,7H2,1H3,(H,20,21).
What are the key properties of 5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide?
5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide has a molecular weight of 403.10 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide is sourced from PubChem (CID 17351367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).