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

C21H20Cl2N2O3 — CID 89489370

IUPACN-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NC(CCc2ccc(Cl)c(Cl)c2)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C21H20Cl2N2O3/c1-25-12-15(19(26)21(25)28)20(27)24-18(14-5-3-2-4-6-14)10-8-13-7-9-16(22)17(23)11-13/h2-7,9,11,18,26H,8,10,12H2,1H3,(H,24,27)
InChIKeyVPYLKFQPBRAZQH-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.07
Rot. Bonds6

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

N-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 89489370) has the molecular formula C21H20Cl2N2O3 and a molecular weight of 419.31 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID89489370
Molecular FormulaC21H20Cl2N2O3
Molecular Weight419.31 g/mol
Exact Mass418.09
IUPAC NameN-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NC(CCc2ccc(Cl)c(Cl)c2)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C21H20Cl2N2O3/c1-25-12-15(19(26)21(25)28)20(27)24-18(14-5-3-2-4-6-14)10-8-13-7-9-16(22)17(23)11-13/h2-7,9,11,18,26H,8,10,12H2,1H3,(H,24,27)
InChIKeyVPYLKFQPBRAZQH-UHFFFAOYSA-N
XLogP4.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 89489370) is N-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NC(CCc2ccc(Cl)c(Cl)c2)c2ccccc2)=C(O)C1=O.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is VPYLKFQPBRAZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O3/c1-25-12-15(19(26)21(25)28)20(27)24-18(14-5-3-2-4-6-14)10-8-13-7-9-16(22)17(23)11-13/h2-7,9,11,18,26H,8,10,12H2,1H3,(H,24,27).
What are the key properties of N-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 419.31 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)-1-phenylpropyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89489370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).