N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C24H24F4N4O4 — CID 134285260

IUPACN-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCc1c(C(=O)C(=O)NC2(C(=O)N(C)C)CC(F)(F)C2)c2n(c1C(=O)Nc1ccc(F)c(F)c1)CCC2
InChIInChI=1S/C24H24F4N4O4/c1-12-17(19(33)21(35)30-23(22(36)31(2)3)10-24(27,28)11-23)16-5-4-8-32(16)18(12)20(34)29-13-6-7-14(25)15(26)9-13/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,29,34)(H,30,35)
InChIKeyOMYGBVDJKHGCPM-UHFFFAOYSA-N
MW508.47 g/mol
LogP2.83
Rot. Bonds6

About N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide

N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 134285260) has the molecular formula C24H24F4N4O4 and a molecular weight of 508.47 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
PubChem CID134285260
Molecular FormulaC24H24F4N4O4
Molecular Weight508.47 g/mol
Exact Mass508.17
IUPAC NameN-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCc1c(C(=O)C(=O)NC2(C(=O)N(C)C)CC(F)(F)C2)c2n(c1C(=O)Nc1ccc(F)c(F)c1)CCC2
InChIInChI=1S/C24H24F4N4O4/c1-12-17(19(33)21(35)30-23(22(36)31(2)3)10-24(27,28)11-23)16-5-4-8-32(16)18(12)20(34)29-13-6-7-14(25)15(26)9-13/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,29,34)(H,30,35)
InChIKeyOMYGBVDJKHGCPM-UHFFFAOYSA-N
XLogP2.83
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 134285260) is N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide is Cc1c(C(=O)C(=O)NC2(C(=O)N(C)C)CC(F)(F)C2)c2n(c1C(=O)Nc1ccc(F)c(F)c1)CCC2.
What is the InChIKey of N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The InChIKey is OMYGBVDJKHGCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O4/c1-12-17(19(33)21(35)30-23(22(36)31(2)3)10-24(27,28)11-23)16-5-4-8-32(16)18(12)20(34)29-13-6-7-14(25)15(26)9-13/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,29,34)(H,30,35).
What are the key properties of N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 508.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-[2-[[1-(dimethylcarbamoyl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 134285260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).