1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide

C18H20Cl2N2O3 — CID 71544458

IUPAC1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1CN(C2CC2)C(=O)C1=O
InChIInChI=1S/C18H20Cl2N2O3/c1-10(2-3-11-4-7-14(19)15(20)8-11)21-17(24)13-9-22(12-5-6-12)18(25)16(13)23/h4,7-8,10,12-13H,2-3,5-6,9H2,1H3,(H,21,24)
InChIKeyAWSGEOCJMAACNQ-UHFFFAOYSA-N
MW383.28 g/mol
LogP2.62
Rot. Bonds6

About 1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide

1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide (PubChem CID 71544458) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide
PubChem CID71544458
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1CN(C2CC2)C(=O)C1=O
InChIInChI=1S/C18H20Cl2N2O3/c1-10(2-3-11-4-7-14(19)15(20)8-11)21-17(24)13-9-22(12-5-6-12)18(25)16(13)23/h4,7-8,10,12-13H,2-3,5-6,9H2,1H3,(H,21,24)
InChIKeyAWSGEOCJMAACNQ-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide
CID 123183712
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 91500804
N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[3-(N-methylanilino)propyl]-4,5-dioxopyrrolidine-3-carboxamide
CID 123426434
N-[5-(3,4-dichlorophenyl)pent-1-en-3-yl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123970039
N-[4-(3,4-dichlorophenyl)butan-2-yl]-2-methoxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
CID 89477724
1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 90314980
N-[3-(3,4-dichlorophenyl)propyl]-1-(2-methylbutyl)-4,5-dioxopyrrolidine-3-carboxamide
CID 123893060
1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 38102463
N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-ethyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 86728184
N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-(3-hydroxybut-3-enyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 90306356
2-[3-[4-(3,4-dichlorophenyl)butan-2-ylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
CID 89489460
3-[4-[3-(3,4-dichlorophenyl)propylcarbamoyl]-2,3-dioxopyrrolidin-1-yl]propanoic acid
CID 123627439

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide (CID 71544458) is 1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide is CC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1CN(C2CC2)C(=O)C1=O.
What is the InChIKey of 1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is AWSGEOCJMAACNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-10(2-3-11-4-7-14(19)15(20)8-11)21-17(24)13-9-22(12-5-6-12)18(25)16(13)23/h4,7-8,10,12-13H,2-3,5-6,9H2,1H3,(H,21,24).
What are the key properties of 1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 383.28 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71544458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).