4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide

C18H16Cl3NO3 — CID 17222277

IUPAC4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H16Cl3NO3/c19-14-8-16(21)17(9-15(14)20)22-18(23)11-3-5-12(6-4-11)25-10-13-2-1-7-24-13/h3-6,8-9,13H,1-2,7,10H2,(H,22,23)
InChIKeyDQXABUCUFTWBAJ-UHFFFAOYSA-N
MW400.69 g/mol
LogP5.46
Rot. Bonds5

About 4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide

4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 17222277) has the molecular formula C18H16Cl3NO3 and a molecular weight of 400.69 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID17222277
Molecular FormulaC18H16Cl3NO3
Molecular Weight400.69 g/mol
Exact Mass399.02
IUPAC Name4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H16Cl3NO3/c19-14-8-16(21)17(9-15(14)20)22-18(23)11-3-5-12(6-4-11)25-10-13-2-1-7-24-13/h3-6,8-9,13H,1-2,7,10H2,(H,22,23)
InChIKeyDQXABUCUFTWBAJ-UHFFFAOYSA-N
XLogP5.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.69
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 51193239
N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222418
N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55700831
N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 42908077
N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55337026
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4877901
2,4,5-trichloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]aniline
CID 46736222
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 42580253
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580238

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide (CID 17222277) is 4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is DQXABUCUFTWBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3NO3/c19-14-8-16(21)17(9-15(14)20)22-18(23)11-3-5-12(6-4-11)25-10-13-2-1-7-24-13/h3-6,8-9,13H,1-2,7,10H2,(H,22,23).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide?
4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 400.69 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 17222277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).