5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

C22H20Cl2N2O3 — CID 17479648

IUPAC5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C22H20Cl2N2O3/c1-13-6-4-7-14(2)21(13)25-19(27)12-26(3)22(28)18-11-10-17(29-18)15-8-5-9-16(23)20(15)24/h4-11H,12H2,1-3H3,(H,25,27)
InChIKeyYVBUCBDCDGNBPQ-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.58
Rot. Bonds5

About 5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 17479648) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID17479648
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C22H20Cl2N2O3/c1-13-6-4-7-14(2)21(13)25-19(27)12-26(3)22(28)18-11-10-17(29-18)15-8-5-9-16(23)20(15)24/h4-11H,12H2,1-3H3,(H,25,27)
InChIKeyYVBUCBDCDGNBPQ-UHFFFAOYSA-N
XLogP5.58
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 17479648) is 5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is YVBUCBDCDGNBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-13-6-4-7-14(2)21(13)25-19(27)12-26(3)22(28)18-11-10-17(29-18)15-8-5-9-16(23)20(15)24/h4-11H,12H2,1-3H3,(H,25,27).
What are the key properties of 5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 431.32 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 17479648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).