methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate

C15H14F2N2O3 — CID 4282908

IUPACmethyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate
SMILESCOC(=O)NN=C(C)c1ccc2ccccc2c1OC(F)F
InChIInChI=1S/C15H14F2N2O3/c1-9(18-19-15(20)21-2)11-8-7-10-5-3-4-6-12(10)13(11)22-14(16)17/h3-8,14H,1-2H3,(H,19,20)
InChIKeyGFAICPIOKVFZEI-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.52
Rot. Bonds4

About methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate

methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate (PubChem CID 4282908) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate
PubChem CID4282908
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Namemethyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate
SMILESCOC(=O)NN=C(C)c1ccc2ccccc2c1OC(F)F
InChIInChI=1S/C15H14F2N2O3/c1-9(18-19-15(20)21-2)11-8-7-10-5-3-4-6-12(10)13(11)22-14(16)17/h3-8,14H,1-2H3,(H,19,20)
InChIKeyGFAICPIOKVFZEI-UHFFFAOYSA-N
XLogP3.52
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.52
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-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]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-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate?
The IUPAC name of methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate (CID 4282908) is methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate.
What is the SMILES notation for methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate?
The canonical SMILES for methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate is COC(=O)NN=C(C)c1ccc2ccccc2c1OC(F)F.
What is the InChIKey of methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate?
The InChIKey is GFAICPIOKVFZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c1-9(18-19-15(20)21-2)11-8-7-10-5-3-4-6-12(10)13(11)22-14(16)17/h3-8,14H,1-2H3,(H,19,20).
What are the key properties of methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate?
methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate has a molecular weight of 308.28 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate is sourced from PubChem (CID 4282908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).