5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide

C19H15Cl2NO3 — CID 2958681

IUPAC5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)oc2C)cc1
InChIInChI=1S/C19H15Cl2NO3/c1-11-15(19(23)22-13-4-6-14(24-2)7-5-13)10-18(25-11)12-3-8-16(20)17(21)9-12/h3-10H,1-2H3,(H,22,23)
InChIKeyBJWBRKXAKRKZQC-UHFFFAOYSA-N
MW376.24 g/mol
LogP5.82
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide

5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide (PubChem CID 2958681) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
PubChem CID2958681
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Name5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)oc2C)cc1
InChIInChI=1S/C19H15Cl2NO3/c1-11-15(19(23)22-13-4-6-14(24-2)7-5-13)10-18(25-11)12-3-8-16(20)17(21)9-12/h3-10H,1-2H3,(H,22,23)
InChIKeyBJWBRKXAKRKZQC-UHFFFAOYSA-N
XLogP5.82
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.24
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide (CID 2958681) is 5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)oc2C)cc1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide?
The InChIKey is BJWBRKXAKRKZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-11-15(19(23)22-13-4-6-14(24-2)7-5-13)10-18(25-11)12-3-8-16(20)17(21)9-12/h3-10H,1-2H3,(H,22,23).
What are the key properties of 5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide?
5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 376.24 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 2958681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).