ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate

C20H18FN3O3 — CID 2387590

IUPACethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate
SMILESCCOC(=O)NN=Cc1c(C)c(C(=O)c2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C20H18FN3O3/c1-3-27-20(26)23-22-12-16-13(2)18(24-11-5-4-6-17(16)24)19(25)14-7-9-15(21)10-8-14/h4-12H,3H2,1-2H3,(H,23,26)
InChIKeyFUKLPDMOFVUWTL-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.70
Rot. Bonds5

About ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate

ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate (PubChem CID 2387590) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate
PubChem CID2387590
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Nameethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate
SMILESCCOC(=O)NN=Cc1c(C)c(C(=O)c2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C20H18FN3O3/c1-3-27-20(26)23-22-12-16-13(2)18(24-11-5-4-6-17(16)24)19(25)14-7-9-15(21)10-8-14/h4-12H,3H2,1-2H3,(H,23,26)
InChIKeyFUKLPDMOFVUWTL-UHFFFAOYSA-N
XLogP3.70
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate 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-3-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]thiourea
CID 6904833
N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3269286
N-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]pyridine-3-carboxamide
CID 6905891
3-(diethylsulfamoyl)-N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]benzamide
CID 2458333
1-cyclohexyl-3-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]thiourea
CID 6903729
N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide
CID 2312208
(4-fluorophenyl)-[2-methyl-1-[(E)-1,2,4-triazol-4-yliminomethyl]indolizin-3-yl]methanone
CID 6903027
(E)-(diaminomethylideneamino)-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylidene]azanium
CID 135775153
N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzamide
CID 2370159
N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide
CID 2311239
(4-fluorophenyl)-[2-methyl-1-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]indolizin-3-yl]methanone
CID 4638945
ethyl N-[(E)-(2,6-difluorophenyl)methylideneamino]carbamate
CID 6902012

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate?
The IUPAC name of ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate (CID 2387590) is ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate?
The canonical SMILES for ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate is CCOC(=O)NN=Cc1c(C)c(C(=O)c2ccc(F)cc2)n2ccccc12.
What is the InChIKey of ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate?
The InChIKey is FUKLPDMOFVUWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-3-27-20(26)23-22-12-16-13(2)18(24-11-5-4-6-17(16)24)19(25)14-7-9-15(21)10-8-14/h4-12H,3H2,1-2H3,(H,23,26).
What are the key properties of ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate?
ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate has a molecular weight of 367.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate is sourced from PubChem (CID 2387590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).