methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate

C11H12F2N2O3 — CID 6113890

IUPACmethyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate
SMILESCOC(=O)N/N=C(/C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H12F2N2O3/c1-7(14-15-11(16)17-2)8-3-5-9(6-4-8)18-10(12)13/h3-6,10H,1-2H3,(H,15,16)/b14-7-
InChIKeyBNTNXJBENZAGBR-AUWJEWJLSA-N
MW258.22 g/mol
LogP2.37
Rot. Bonds4

About methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate

methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate (PubChem CID 6113890) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate
PubChem CID6113890
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Namemethyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate
SMILESCOC(=O)N/N=C(/C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H12F2N2O3/c1-7(14-15-11(16)17-2)8-3-5-9(6-4-8)18-10(12)13/h3-6,10H,1-2H3,(H,15,16)/b14-7-
InChIKeyBNTNXJBENZAGBR-AUWJEWJLSA-N
XLogP2.37
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.37
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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Related Compounds

N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
methyl N-[(Z)-1-[2,4-bis(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 6168777
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9156010
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 7934939
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4606175
N-[(E)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 42991318
ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate
CID 9075932
1-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9176051
methyl N-[(E)-1-(4-cyanophenyl)ethylideneamino]carbamate
CID 18526403
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241955
2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 7937038
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352879

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate (CID 6113890) is methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate is COC(=O)N/N=C(/C)c1ccc(OC(F)F)cc1.
What is the InChIKey of methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate?
The InChIKey is BNTNXJBENZAGBR-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-7(14-15-11(16)17-2)8-3-5-9(6-4-8)18-10(12)13/h3-6,10H,1-2H3,(H,15,16)/b14-7-.
What are the key properties of methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate?
methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate has a molecular weight of 258.22 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate is sourced from PubChem (CID 6113890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).