N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide

C20H15Cl2NO3 — CID 23964334

IUPACN-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H15Cl2NO3/c21-14-11-12-18(17(22)13-14)23-19(24)20(25-15-7-3-1-4-8-15)26-16-9-5-2-6-10-16/h1-13,20H,(H,23,24)
InChIKeyRRSKBFXWWNBQFX-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.42
Rot. Bonds6

About N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide

N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide (PubChem CID 23964334) has the molecular formula C20H15Cl2NO3 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide
PubChem CID23964334
Molecular FormulaC20H15Cl2NO3
Molecular Weight388.25 g/mol
Exact Mass387.04
IUPAC NameN-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H15Cl2NO3/c21-14-11-12-18(17(22)13-14)23-19(24)20(25-15-7-3-1-4-8-15)26-16-9-5-2-6-10-16/h1-13,20H,(H,23,24)
InChIKeyRRSKBFXWWNBQFX-UHFFFAOYSA-N
XLogP5.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
N-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203915
(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238690
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] benzoate
CID 2516751
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139775
N-(2,4-dichlorophenyl)-2-(3-ethylphenoxy)propanamide
CID 53267195
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
(2R)-N-(2,4-dichlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 9236171
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide (CID 23964334) is N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide is O=C(Nc1ccc(Cl)cc1Cl)C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide?
The InChIKey is RRSKBFXWWNBQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO3/c21-14-11-12-18(17(22)13-14)23-19(24)20(25-15-7-3-1-4-8-15)26-16-9-5-2-6-10-16/h1-13,20H,(H,23,24).
What are the key properties of N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide?
N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide has a molecular weight of 388.25 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide is sourced from PubChem (CID 23964334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).