N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C19H17Cl2N3O3 — CID 55865096

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C19H17Cl2N3O3/c1-24(11-17(25)22-18-13(20)8-5-9-14(18)21)19(26)15-10-16(27-23-15)12-6-3-2-4-7-12/h2-9,16H,10-11H2,1H3,(H,22,25)
InChIKeyQTDZVFAOSOWMEL-UHFFFAOYSA-N
MW406.27 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 55865096) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID55865096
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C19H17Cl2N3O3/c1-24(11-17(25)22-18-13(20)8-5-9-14(18)21)19(26)15-10-16(27-23-15)12-6-3-2-4-7-12/h2-9,16H,10-11H2,1H3,(H,22,25)
InChIKeyQTDZVFAOSOWMEL-UHFFFAOYSA-N
XLogP3.91
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
(5S,7R)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-phenyladamantane-1-carboxamide
CID 52511314
N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 75405445
(5S)-N,N-bis(cyanomethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95383127
2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78772127
(5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 124508168
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
CID 26899017
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
CID 9431771
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 24817966
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 55865096) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1=NOC(c2ccccc2)C1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is QTDZVFAOSOWMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-24(11-17(25)22-18-13(20)8-5-9-14(18)21)19(26)15-10-16(27-23-15)12-6-3-2-4-7-12/h2-9,16H,10-11H2,1H3,(H,22,25).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 406.27 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55865096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).