N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide

C22H30FN3O2 — CID 42870268

About N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide

N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide (PubChem CID 42870268) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
• PubChem CID: 42870268
• Molecular Formula: C22H30FN3O2
• Molecular Weight: 387.50 g/mol
• Exact Mass: 387.23
• IUPAC Name: N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
• SMILES: COCC(=O)N(CC1CN(Cc2ccc[nH]2)CC1c1cccc(F)c1)C(C)C
• InChI: InChI=1S/C22H30FN3O2/c1-16(2)26(22(27)15-28-3)12-18-11-25(13-20-8-5-9-24-20)14-21(18)17-6-4-7-19(23)10-17/h4-10,16,18,21,24H,11-15H2,1-3H3
• InChIKey: QKJBMRQGEVQLPN-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 48.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.50
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide?

The IUPAC name of N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide (CID 42870268) is N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide.

What is the SMILES notation for N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide?

The canonical SMILES for N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide is COCC(=O)N(CC1CN(Cc2ccc[nH]2)CC1c1cccc(F)c1)C(C)C.

What is the InChIKey of N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide?

The InChIKey is QKJBMRQGEVQLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-16(2)26(22(27)15-28-3)12-18-11-25(13-20-8-5-9-24-20)14-21(18)17-6-4-7-19(23)10-17/h4-10,16,18,21,24H,11-15H2,1-3H3.

What are the key properties of N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide?

N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide has a molecular weight of 387.50 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3-fluorophenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-propan-2-ylacetamide is sourced from PubChem (CID 42870268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).