5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide

C21H18ClNO3 — CID 18111471

IUPAC5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccccc3Cl)o2)cc1
InChIInChI=1S/C21H18ClNO3/c1-14(24)15-7-9-16(10-8-15)19-11-12-20(26-19)21(25)23(2)13-17-5-3-4-6-18(17)22/h3-12H,13H2,1-2H3
InChIKeyRURYXNXLTHGEJU-UHFFFAOYSA-N
MW367.83 g/mol
LogP5.07
Rot. Bonds5

About 5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide

5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 18111471) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide
PubChem CID18111471
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccccc3Cl)o2)cc1
InChIInChI=1S/C21H18ClNO3/c1-14(24)15-7-9-16(10-8-15)19-11-12-20(26-19)21(25)23(2)13-17-5-3-4-6-18(17)22/h3-12H,13H2,1-2H3
InChIKeyRURYXNXLTHGEJU-UHFFFAOYSA-N
XLogP5.07
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide (CID 18111471) is 5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccccc3Cl)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is RURYXNXLTHGEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-14(24)15-7-9-16(10-8-15)19-11-12-20(26-19)21(25)23(2)13-17-5-3-4-6-18(17)22/h3-12H,13H2,1-2H3.
What are the key properties of 5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide?
5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 367.83 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 18111471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).