3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide

C19H19BrCl3NO2 — CID 4959487

IUPAC3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Br
InChIInChI=1S/C19H19BrCl3NO2/c1-2-3-4-5-8-26-18-7-6-12(9-13(18)20)19(25)24-17-11-15(22)14(21)10-16(17)23/h6-7,9-11H,2-5,8H2,1H3,(H,24,25)
InChIKeyUBBGLZMYBOCSRT-UHFFFAOYSA-N
MW479.63 g/mol
LogP7.62
Rot. Bonds8

About 3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide

3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 4959487) has the molecular formula C19H19BrCl3NO2 and a molecular weight of 479.63 g/mol. Its IUPAC name is 3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID4959487
Molecular FormulaC19H19BrCl3NO2
Molecular Weight479.63 g/mol
Exact Mass476.97
IUPAC Name3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Br
InChIInChI=1S/C19H19BrCl3NO2/c1-2-3-4-5-8-26-18-7-6-12(9-13(18)20)19(25)24-17-11-15(22)14(21)10-16(17)23/h6-7,9-11H,2-5,8H2,1H3,(H,24,25)
InChIKeyUBBGLZMYBOCSRT-UHFFFAOYSA-N
XLogP7.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-propoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 17342734
3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide
CID 4959418
3-bromo-4-(2-methylpropoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17351631
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
3-bromo-4-prop-2-enoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 17067211
3-bromo-N-(2,6-dimethylphenyl)-4-hexoxybenzamide
CID 4959519
3-bromo-4-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642675
methyl 4-[(3-bromo-4-hexoxybenzoyl)amino]benzoate
CID 4959481
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163
3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 4959553
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17149395
3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide
CID 4959421

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide (CID 4959487) is 3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide is CCCCCCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Br.
What is the InChIKey of 3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is UBBGLZMYBOCSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrCl3NO2/c1-2-3-4-5-8-26-18-7-6-12(9-13(18)20)19(25)24-17-11-15(22)14(21)10-16(17)23/h6-7,9-11H,2-5,8H2,1H3,(H,24,25).
What are the key properties of 3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide?
3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 479.63 g/mol, XLogP of 7.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 4959487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).