1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine

C20H29FN4O — CID 111792609

IUPAC1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC1(c2ccccc2F)CC1)NCCCN1CCCC1=O
InChIInChI=1S/C20H29FN4O/c1-2-22-19(23-12-6-14-25-13-5-9-18(25)26)24-15-20(10-11-20)16-7-3-4-8-17(16)21/h3-4,7-8H,2,5-6,9-15H2,1H3,(H2,22,23,24)
InChIKeyCRAUUJFSXXFEKM-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.42
Rot. Bonds8

About 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine

1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine (PubChem CID 111792609) has the molecular formula C20H29FN4O and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
PubChem CID111792609
Molecular FormulaC20H29FN4O
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC Name1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC1(c2ccccc2F)CC1)NCCCN1CCCC1=O
InChIInChI=1S/C20H29FN4O/c1-2-22-19(23-12-6-14-25-13-5-9-18(25)26)24-15-20(10-11-20)16-7-3-4-8-17(16)21/h3-4,7-8H,2,5-6,9-15H2,1H3,(H2,22,23,24)
InChIKeyCRAUUJFSXXFEKM-UHFFFAOYSA-N
XLogP2.42
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-2-[(2-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111147007
1-ethyl-2-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146886
1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111968401
1-ethyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111761248
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(3-propan-2-yloxypropyl)guanidine
CID 111794559
1-ethyl-2-(2-methyl-2-phenylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111147373
1-ethyl-2-(2-ethyl-2-phenylbutyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111500069
1-[2-(2,3-difluorophenyl)ethyl]-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111566733
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(3-phenylpropyl)guanidine
CID 111146773
2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111796379
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111132096
1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111146787

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine (CID 111792609) is 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine is CCN/C(=N\CC1(c2ccccc2F)CC1)NCCCN1CCCC1=O.
What is the InChIKey of 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine?
The InChIKey is CRAUUJFSXXFEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O/c1-2-22-19(23-12-6-14-25-13-5-9-18(25)26)24-15-20(10-11-20)16-7-3-4-8-17(16)21/h3-4,7-8H,2,5-6,9-15H2,1H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine?
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine has a molecular weight of 360.48 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111792609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).