N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

About N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 134285165) has the molecular formula C26H23ClFN3O3 and a molecular weight of 479.94 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

Compound Name	N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
PubChem CID	134285165
Molecular Formula	C26H23ClFN3O3
Molecular Weight	479.94 g/mol
Exact Mass	479.14
IUPAC Name	N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILES	Cc1c(C(=O)C(=O)NC2(c3ccccc3)CC2)c2n(c1C(=O)Nc1ccc(F)c(Cl)c1)CCC2
InChI	InChI=1S/C26H23ClFN3O3/c1-15-21(23(32)25(34)30-26(11-12-26)16-6-3-2-4-7-16)20-8-5-13-31(20)22(15)24(33)29-17-9-10-19(28)18(27)14-17/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,29,33)(H,30,34)
InChIKey	LRUHUPVDHZBOIV-UHFFFAOYSA-N
XLogP	4.78
TPSA	80.20 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.94
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 134285165) is N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is Cc1c(C(=O)C(=O)NC2(c3ccccc3)CC2)c2n(c1C(=O)Nc1ccc(F)c(Cl)c1)CCC2.

What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The InChIKey is LRUHUPVDHZBOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O3/c1-15-21(23(32)25(34)30-26(11-12-26)16-6-3-2-4-7-16)20-8-5-13-31(20)22(15)24(33)29-17-9-10-19(28)18(27)14-17/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,29,33)(H,30,34).

What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 479.94 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[(1-phenylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 134285165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).