methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate

C13H11FN2O3 — CID 5349875

IUPACmethyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H11FN2O3/c1-18-13(17)16-15-8-11-6-7-12(19-11)9-2-4-10(14)5-3-9/h2-8H,1H3,(H,16,17)/b15-8-
InChIKeyJXXOEWTZPORECK-NVNXTCNLSA-N
MW262.24 g/mol
LogP2.78
Rot. Bonds3

About methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate

methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate (PubChem CID 5349875) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate
PubChem CID5349875
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Namemethyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H11FN2O3/c1-18-13(17)16-15-8-11-6-7-12(19-11)9-2-4-10(14)5-3-9/h2-8H,1H3,(H,16,17)/b15-8-
InChIKeyJXXOEWTZPORECK-NVNXTCNLSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.78
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'}

Analyze methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-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

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate (CID 5349875) is methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate is COC(=O)N/N=C\c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate?
The InChIKey is JXXOEWTZPORECK-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-18-13(17)16-15-8-11-6-7-12(19-11)9-2-4-10(14)5-3-9/h2-8H,1H3,(H,16,17)/b15-8-.
What are the key properties of methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate?
methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate has a molecular weight of 262.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]carbamate is sourced from PubChem (CID 5349875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).