N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide

C21H29FN2O — CID 23315494

IUPACN-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)Cc1ccc(F)cc1)C1CCCCCC1N1CC=CC1
InChIInChI=1S/C21H29FN2O/c1-2-24(21(25)16-17-10-12-18(22)13-11-17)20-9-5-3-4-8-19(20)23-14-6-7-15-23/h6-7,10-13,19-20H,2-5,8-9,14-16H2,1H3
InChIKeyOTOPOQMAPVXFFW-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.79
Rot. Bonds5

About N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide

N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide (PubChem CID 23315494) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide
PubChem CID23315494
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC NameN-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)Cc1ccc(F)cc1)C1CCCCCC1N1CC=CC1
InChIInChI=1S/C21H29FN2O/c1-2-24(21(25)16-17-10-12-18(22)13-11-17)20-9-5-3-4-8-19(20)23-14-6-7-15-23/h6-7,10-13,19-20H,2-5,8-9,14-16H2,1H3
InChIKeyOTOPOQMAPVXFFW-UHFFFAOYSA-N
XLogP3.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide (CID 23315494) is N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide is CCN(C(=O)Cc1ccc(F)cc1)C1CCCCCC1N1CC=CC1.
What is the InChIKey of N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide?
The InChIKey is OTOPOQMAPVXFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O/c1-2-24(21(25)16-17-10-12-18(22)13-11-17)20-9-5-3-4-8-19(20)23-14-6-7-15-23/h6-7,10-13,19-20H,2-5,8-9,14-16H2,1H3.
What are the key properties of N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide?
N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide has a molecular weight of 344.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dihydropyrrol-1-yl)cycloheptyl]-N-ethyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 23315494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).