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

C23H24Cl2N2O3 — CID 89489348

IUPACN-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCc1ccc(CC2C(C(=O)NCCCc3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C)cc1
InChIInChI=1S/C23H24Cl2N2O3/c1-14-5-7-16(8-6-14)13-19-20(21(28)23(30)27(19)2)22(29)26-11-3-4-15-9-10-17(24)18(25)12-15/h5-10,12,19,28H,3-4,11,13H2,1-2H3,(H,26,29)
InChIKeySMTQLPFVXUOEIP-UHFFFAOYSA-N
MW447.36 g/mol
LogP4.25
Rot. Bonds7

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

N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 89489348) has the molecular formula C23H24Cl2N2O3 and a molecular weight of 447.36 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID89489348
Molecular FormulaC23H24Cl2N2O3
Molecular Weight447.36 g/mol
Exact Mass446.12
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCc1ccc(CC2C(C(=O)NCCCc3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C)cc1
InChIInChI=1S/C23H24Cl2N2O3/c1-14-5-7-16(8-6-14)13-19-20(21(28)23(30)27(19)2)22(29)26-11-3-4-15-9-10-17(24)18(25)12-15/h5-10,12,19,28H,3-4,11,13H2,1-2H3,(H,26,29)
InChIKeySMTQLPFVXUOEIP-UHFFFAOYSA-N
XLogP4.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 54.25
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
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-[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-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-pyrrole-3-carboxamide
CID 90315177
N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 90342616
(E)-3-(3,4-dichlorophenyl)-N-[5-[4-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]piperidin-1-yl]pentyl]prop-2-enamide
CID 44534186
(E)-N-[5-[4-[[2-(4-chlorophenyl)acetyl]-methylamino]piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 44534188

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide (CID 89489348) is N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide is Cc1ccc(CC2C(C(=O)NCCCc3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C)cc1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is SMTQLPFVXUOEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O3/c1-14-5-7-16(8-6-14)13-19-20(21(28)23(30)27(19)2)22(29)26-11-3-4-15-9-10-17(24)18(25)12-15/h5-10,12,19,28H,3-4,11,13H2,1-2H3,(H,26,29).
What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide?
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 447.36 g/mol, XLogP of 4.25, 7 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-methyl-2-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89489348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).