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

C19H24Cl2N2O4 — CID 71515489

IUPACN-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide
SMILESCC(C)OCCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
InChIInChI=1S/C19H24Cl2N2O4/c1-12(2)27-9-8-23-11-14(17(24)19(23)26)18(25)22-7-3-4-13-5-6-15(20)16(21)10-13/h5-6,10,12,24H,3-4,7-9,11H2,1-2H3,(H,22,25)
InChIKeySCRWDAHOGOOJIJ-UHFFFAOYSA-N
MW415.32 g/mol
LogP3.12
Rot. Bonds9

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

N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide (PubChem CID 71515489) has the molecular formula C19H24Cl2N2O4 and a molecular weight of 415.32 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide
PubChem CID71515489
Molecular FormulaC19H24Cl2N2O4
Molecular Weight415.32 g/mol
Exact Mass414.11
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide
SMILESCC(C)OCCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
InChIInChI=1S/C19H24Cl2N2O4/c1-12(2)27-9-8-23-11-14(17(24)19(23)26)18(25)22-7-3-4-13-5-6-15(20)16(21)10-13/h5-6,10,12,24H,3-4,7-9,11H2,1-2H3,(H,22,25)
InChIKeySCRWDAHOGOOJIJ-UHFFFAOYSA-N
XLogP3.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide (CID 71515489) is N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide is CC(C)OCCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide?
The InChIKey is SCRWDAHOGOOJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O4/c1-12(2)27-9-8-23-11-14(17(24)19(23)26)18(25)22-7-3-4-13-5-6-15(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-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide?
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide has a molecular weight of 415.32 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 71515489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).