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

C17H20Cl2N2O3 — CID 118457366

IUPACN-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide
SMILESCCCC1NC(=O)C(O)=C1C(=O)NCCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2O3/c1-2-4-13-14(15(22)17(24)21-13)16(23)20-8-3-5-10-6-7-11(18)12(19)9-10/h6-7,9,13,22H,2-5,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyFYEBKMQOPDTHBX-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.15
Rot. Bonds7

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

N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide (PubChem CID 118457366) has the molecular formula C17H20Cl2N2O3 and a molecular weight of 371.26 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide
PubChem CID118457366
Molecular FormulaC17H20Cl2N2O3
Molecular Weight371.26 g/mol
Exact Mass370.09
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide
SMILESCCCC1NC(=O)C(O)=C1C(=O)NCCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2O3/c1-2-4-13-14(15(22)17(24)21-13)16(23)20-8-3-5-10-6-7-11(18)12(19)9-10/h6-7,9,13,22H,2-5,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyFYEBKMQOPDTHBX-UHFFFAOYSA-N
XLogP3.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-2-propyl-1,2-dihydropyrrole-3-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide (CID 118457366) is N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide is CCCC1NC(=O)C(O)=C1C(=O)NCCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide?
The InChIKey is FYEBKMQOPDTHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3/c1-2-4-13-14(15(22)17(24)21-13)16(23)20-8-3-5-10-6-7-11(18)12(19)9-10/h6-7,9,13,22H,2-5,8H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide?
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide has a molecular weight of 371.26 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 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-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide is sourced from PubChem (CID 118457366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).