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

C16H16Cl2N2O3 — CID 54698193

IUPAC1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(C2CC2)C1
InChIInChI=1S/C16H16Cl2N2O3/c1-19(7-9-2-5-12(17)13(18)6-9)15(22)11-8-20(10-3-4-10)16(23)14(11)21/h2,5-6,10,21H,3-4,7-8H2,1H3
InChIKeyVNPSFMDAFDFZJA-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.77
Rot. Bonds4

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

1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 54698193) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID54698193
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(C2CC2)C1
InChIInChI=1S/C16H16Cl2N2O3/c1-19(7-9-2-5-12(17)13(18)6-9)15(22)11-8-20(10-3-4-10)16(23)14(11)21/h2,5-6,10,21H,3-4,7-8H2,1H3
InChIKeyVNPSFMDAFDFZJA-UHFFFAOYSA-N
XLogP2.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 54698193) is 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is VNPSFMDAFDFZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-19(7-9-2-5-12(17)13(18)6-9)15(22)11-8-20(10-3-4-10)16(23)14(11)21/h2,5-6,10,21H,3-4,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide?
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 355.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54698193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).