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

C19H24Cl2N2O3 — CID 89489382

IUPACN-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
InChIInChI=1S/C19H24Cl2N2O3/c1-12(2)7-9-23-11-14(17(24)19(23)26)18(25)22-8-3-4-13-5-6-15(20)16(21)10-13/h5-6,10,12,24H,3-4,7-9,11H2,1-2H3,(H,22,25)
InChIKeyBTTXWWBHFSNOQZ-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.74
Rot. Bonds8

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

N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 89489382) has the molecular formula C19H24Cl2N2O3 and a molecular weight of 399.32 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID89489382
Molecular FormulaC19H24Cl2N2O3
Molecular Weight399.32 g/mol
Exact Mass398.12
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
InChIInChI=1S/C19H24Cl2N2O3/c1-12(2)7-9-23-11-14(17(24)19(23)26)18(25)22-8-3-4-13-5-6-15(20)16(21)10-13/h5-6,10,12,24H,3-4,7-9,11H2,1-2H3,(H,22,25)
InChIKeyBTTXWWBHFSNOQZ-UHFFFAOYSA-N
XLogP3.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-1-methyl-5-oxo-2,5-dihydro-1h-pyrrole-3-carboxylic acid [3-(3,4-dichlorophenyl)-propyl]-amide
CID 54704622
N-(4-(3,4-dichlorophenyl)butan-2-yl)-1-ethyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide
CID 86728184
N-[3-(3,4-dichlorophenyl)propyl]-2-(2,2-dimethylpropyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489281
2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489291
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 89489300
2-(2-chlorophenyl)-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489304
1-benzyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489363
N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489436
N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide
CID 89489635
N-[2-(3,4-dichlorophenyl)ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90302407
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-[3-(methanesulfonamido)-3-oxopropyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 90315018
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-pyrrole-3-carboxamide
CID 90315177

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide (CID 89489382) is N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide is CC(C)CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is BTTXWWBHFSNOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O3/c1-12(2)7-9-23-11-14(17(24)19(23)26)18(25)22-8-3-4-13-5-6-15(20)16(21)10-13/h5-6,10,12,24H,3-4,7-9,11H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide?
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 399.32 g/mol, XLogP of 3.74, 8 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)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89489382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).