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

C19H22Cl2N2O3 — CID 123183712

IUPAC1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1CN(CC2CC2)C(=O)C1=O
InChIInChI=1S/C19H22Cl2N2O3/c1-11(2-3-12-6-7-15(20)16(21)8-12)22-18(25)14-10-23(9-13-4-5-13)19(26)17(14)24/h6-8,11,13-14H,2-5,9-10H2,1H3,(H,22,25)
InChIKeyOQDUOFUMDXIXIP-UHFFFAOYSA-N
MW397.30 g/mol
LogP2.87
Rot. Bonds7

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

1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide (PubChem CID 123183712) has the molecular formula C19H22Cl2N2O3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide
PubChem CID123183712
Molecular FormulaC19H22Cl2N2O3
Molecular Weight397.30 g/mol
Exact Mass396.10
IUPAC Name1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1CN(CC2CC2)C(=O)C1=O
InChIInChI=1S/C19H22Cl2N2O3/c1-11(2-3-12-6-7-15(20)16(21)8-12)22-18(25)14-10-23(9-13-4-5-13)19(26)17(14)24/h6-8,11,13-14H,2-5,9-10H2,1H3,(H,22,25)
InChIKeyOQDUOFUMDXIXIP-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 52.87
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-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide
CID 71544458
1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 90314980
N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[3-(N-methylanilino)propyl]-4,5-dioxopyrrolidine-3-carboxamide
CID 123426434
N-[3-(3,4-dichlorophenyl)propyl]-1-(2-methylbutyl)-4,5-dioxopyrrolidine-3-carboxamide
CID 123893060
N-[5-(3,4-dichlorophenyl)pent-1-en-3-yl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123970039
N-[3-(3,4-dichlorophenyl)propyl]-4,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 71544118
3-[4-[3-(3,4-dichlorophenyl)propylcarbamoyl]-2,3-dioxopyrrolidin-1-yl]propanoic acid
CID 123627439
N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide
CID 123320002
N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-ethyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 86728184
2-[3-[4-(3,4-dichlorophenyl)butan-2-ylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
CID 89489460
1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 38102463
N-[3-(3,4-dichlorophenyl)propyl]-1-[3-(N-methylanilino)propyl]-4,5-dioxopyrrolidine-3-carboxamide
CID 123837768

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide (CID 123183712) is 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide is CC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1CN(CC2CC2)C(=O)C1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is OQDUOFUMDXIXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3/c1-11(2-3-12-6-7-15(20)16(21)8-12)22-18(25)14-10-23(9-13-4-5-13)19(26)17(14)24/h6-8,11,13-14H,2-5,9-10H2,1H3,(H,22,25).
What are the key properties of 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide?
1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 397.30 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 123183712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).