5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide

C19H16ClNO2 — CID 24776777

IUPAC5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide
SMILESCc1cccc(N(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C19H16ClNO2/c1-13-4-3-5-16(12-13)21(2)19(22)18-11-10-17(23-18)14-6-8-15(20)9-7-14/h3-12H,1-2H3
InChIKeyMIJSDLWKDQTMIZ-UHFFFAOYSA-N
MW325.80 g/mol
LogP5.19
Rot. Bonds3

About 5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide

5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide (PubChem CID 24776777) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide
PubChem CID24776777
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide
SMILESCc1cccc(N(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C19H16ClNO2/c1-13-4-3-5-16(12-13)21(2)19(22)18-11-10-17(23-18)14-6-8-15(20)9-7-14/h3-12H,1-2H3
InChIKeyMIJSDLWKDQTMIZ-UHFFFAOYSA-N
XLogP5.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.80
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide (CID 24776777) is 5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide is Cc1cccc(N(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide?
The InChIKey is MIJSDLWKDQTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-13-4-3-5-16(12-13)21(2)19(22)18-11-10-17(23-18)14-6-8-15(20)9-7-14/h3-12H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide?
5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 24776777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).