3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide

C19H20BrCl2NO2 — CID 4959418

IUPAC3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C19H20BrCl2NO2/c1-2-3-4-5-10-25-18-9-6-13(11-15(18)20)19(24)23-17-8-7-14(21)12-16(17)22/h6-9,11-12H,2-5,10H2,1H3,(H,23,24)
InChIKeyIBTCRQVPXBILBT-UHFFFAOYSA-N
MW445.18 g/mol
LogP6.97
Rot. Bonds8

About 3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide

3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide (PubChem CID 4959418) has the molecular formula C19H20BrCl2NO2 and a molecular weight of 445.18 g/mol. Its IUPAC name is 3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide
PubChem CID4959418
Molecular FormulaC19H20BrCl2NO2
Molecular Weight445.18 g/mol
Exact Mass443.01
IUPAC Name3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C19H20BrCl2NO2/c1-2-3-4-5-10-25-18-9-6-13(11-15(18)20)19(24)23-17-8-7-14(21)12-16(17)22/h6-9,11-12H,2-5,10H2,1H3,(H,23,24)
InChIKeyIBTCRQVPXBILBT-UHFFFAOYSA-N
XLogP6.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.18
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4959487
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
CID 26115429
3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
3-bromo-4-propoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 17342734
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
3-bromo-4-butoxy-N-(3-chloro-4-fluorophenyl)benzamide
CID 4955807
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4959603
3-bromo-N-(2,6-dimethylphenyl)-4-hexoxybenzamide
CID 4959519
methyl 4-[(3-bromo-4-hexoxybenzoyl)amino]benzoate
CID 4959481
3-bromo-4-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642675
5-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]-2-hexoxybenzamide
CID 17343583
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17149395

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide?
The IUPAC name of 3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide (CID 4959418) is 3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide?
The canonical SMILES for 3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1Br.
What is the InChIKey of 3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide?
The InChIKey is IBTCRQVPXBILBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrCl2NO2/c1-2-3-4-5-10-25-18-9-6-13(11-15(18)20)19(24)23-17-8-7-14(21)12-16(17)22/h6-9,11-12H,2-5,10H2,1H3,(H,23,24).
What are the key properties of 3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide?
3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide has a molecular weight of 445.18 g/mol, XLogP of 6.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide is sourced from PubChem (CID 4959418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).