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

C16H18Cl2N2O3 — CID 89489419

IUPACN-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(C)C1
InChIInChI=1S/C16H18Cl2N2O3/c1-9(3-4-10-5-6-12(17)13(18)7-10)19-15(22)11-8-20(2)16(23)14(11)21/h5-7,9,21H,3-4,8H2,1-2H3,(H,19,22)
InChIKeyZXENUOPVCDPWKD-UHFFFAOYSA-N
MW357.24 g/mol
LogP2.71
Rot. Bonds5

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

N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 89489419) has the molecular formula C16H18Cl2N2O3 and a molecular weight of 357.24 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID89489419
Molecular FormulaC16H18Cl2N2O3
Molecular Weight357.24 g/mol
Exact Mass356.07
IUPAC NameN-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(C)C1
InChIInChI=1S/C16H18Cl2N2O3/c1-9(3-4-10-5-6-12(17)13(18)7-10)19-15(22)11-8-20(2)16(23)14(11)21/h5-7,9,21H,3-4,8H2,1-2H3,(H,19,22)
InChIKeyZXENUOPVCDPWKD-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 89489419) is N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(C)C1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is ZXENUOPVCDPWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3/c1-9(3-4-10-5-6-12(17)13(18)7-10)19-15(22)11-8-20(2)16(23)14(11)21/h5-7,9,21H,3-4,8H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 357.24 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89489419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).