1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide

C16H16Cl2N2O2 — CID 25029698

IUPAC1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide
SMILESCC1=CC(=O)N(C2CC2)C1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-9-6-14(21)20(12-4-5-12)15(9)16(22)19-8-10-2-3-11(17)7-13(10)18/h2-3,6-7,12,15H,4-5,8H2,1H3,(H,19,22)
InChIKeyPZOYBSXLWBUYMF-UHFFFAOYSA-N
MW339.22 g/mol
LogP2.93
Rot. Bonds4

About 1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide

1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide (PubChem CID 25029698) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide
PubChem CID25029698
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide
SMILESCC1=CC(=O)N(C2CC2)C1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-9-6-14(21)20(12-4-5-12)15(9)16(22)19-8-10-2-3-11(17)7-13(10)18/h2-3,6-7,12,15H,4-5,8H2,1H3,(H,19,22)
InChIKeyPZOYBSXLWBUYMF-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide (CID 25029698) is 1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide is CC1=CC(=O)N(C2CC2)C1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide?
The InChIKey is PZOYBSXLWBUYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-9-6-14(21)20(12-4-5-12)15(9)16(22)19-8-10-2-3-11(17)7-13(10)18/h2-3,6-7,12,15H,4-5,8H2,1H3,(H,19,22).
What are the key properties of 1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide?
1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide has a molecular weight of 339.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-3-methyl-5-oxo-2H-pyrrole-2-carboxamide is sourced from PubChem (CID 25029698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).