ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate

C19H18FN3O2 — CID 6878918

IUPACethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H18FN3O2/c1-2-25-19(24)22-21-11-15-13-23(18-6-4-3-5-17(15)18)12-14-7-9-16(20)10-8-14/h3-11,13H,2,12H2,1H3,(H,22,24)/b21-11+
InChIKeyRNFYVYRTQSJAHW-SRZZPIQSSA-N
MW339.37 g/mol
LogP3.91
Rot. Bonds5

About ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate

ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate (PubChem CID 6878918) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
PubChem CID6878918
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Nameethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H18FN3O2/c1-2-25-19(24)22-21-11-15-13-23(18-6-4-3-5-17(15)18)12-14-7-9-16(20)10-8-14/h3-11,13H,2,12H2,1H3,(H,22,24)/b21-11+
InChIKeyRNFYVYRTQSJAHW-SRZZPIQSSA-N
XLogP3.91
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate (CID 6878918) is ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate is CCOC(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate?
The InChIKey is RNFYVYRTQSJAHW-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-2-25-19(24)22-21-11-15-13-23(18-6-4-3-5-17(15)18)12-14-7-9-16(20)10-8-14/h3-11,13H,2,12H2,1H3,(H,22,24)/b21-11+.
What are the key properties of ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate?
ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate has a molecular weight of 339.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate is sourced from PubChem (CID 6878918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).