2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide

C18H12Cl4N2O3 — CID 3007284

IUPAC2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)C(Cl)Cl)cc1-c1cc(-c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C18H12Cl4N2O3/c1-26-14-6-5-9(23-18(25)17(21)22)7-10(14)15-8-13(24-27-15)16-11(19)3-2-4-12(16)20/h2-8,17H,1H3,(H,23,25)
InChIKeyATXVBXPHNAVXPD-UHFFFAOYSA-N
MW446.12 g/mol
LogP6.07
Rot. Bonds5

About 2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide

2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide (PubChem CID 3007284) has the molecular formula C18H12Cl4N2O3 and a molecular weight of 446.12 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide
PubChem CID3007284
Molecular FormulaC18H12Cl4N2O3
Molecular Weight446.12 g/mol
Exact Mass443.96
IUPAC Name2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)C(Cl)Cl)cc1-c1cc(-c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C18H12Cl4N2O3/c1-26-14-6-5-9(23-18(25)17(21)22)7-10(14)15-8-13(24-27-15)16-11(19)3-2-4-12(16)20/h2-8,17H,1H3,(H,23,25)
InChIKeyATXVBXPHNAVXPD-UHFFFAOYSA-N
XLogP6.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.12
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide
CID 3007230
2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
CID 10023630
2,2-dichloro-N-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]acetamide;phenylmethanesulfonic acid
CID 158697376
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 177376733
N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55572102
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide
CID 10361254
2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide
CID 840731
5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466
5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 49016837
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide (CID 3007284) is 2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)C(Cl)Cl)cc1-c1cc(-c2c(Cl)cccc2Cl)no1.
What is the InChIKey of 2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide?
The InChIKey is ATXVBXPHNAVXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl4N2O3/c1-26-14-6-5-9(23-18(25)17(21)22)7-10(14)15-8-13(24-27-15)16-11(19)3-2-4-12(16)20/h2-8,17H,1H3,(H,23,25).
What are the key properties of 2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide?
2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide has a molecular weight of 446.12 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 3007284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).