methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate

C17H17ClFN3O4 — CID 90848648

IUPACmethyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate
SMILESC=C(NOCc1cccc(CF)n1)c1ccc(Cl)c(ONC(=O)OC)c1
InChIInChI=1S/C17H17ClFN3O4/c1-11(21-25-10-14-5-3-4-13(9-19)20-14)12-6-7-15(18)16(8-12)26-22-17(23)24-2/h3-8,21H,1,9-10H2,2H3,(H,22,23)
InChIKeyMSQFYVOSMCCENB-UHFFFAOYSA-N
MW381.79 g/mol
LogP3.55
Rot. Bonds8

About methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate

methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate (PubChem CID 90848648) has the molecular formula C17H17ClFN3O4 and a molecular weight of 381.79 g/mol. Its IUPAC name is methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate.

Molecular Properties

Compound Namemethyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate
PubChem CID90848648
Molecular FormulaC17H17ClFN3O4
Molecular Weight381.79 g/mol
Exact Mass381.09
IUPAC Namemethyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate
SMILESC=C(NOCc1cccc(CF)n1)c1ccc(Cl)c(ONC(=O)OC)c1
InChIInChI=1S/C17H17ClFN3O4/c1-11(21-25-10-14-5-3-4-13(9-19)20-14)12-6-7-15(18)16(8-12)26-22-17(23)24-2/h3-8,21H,1,9-10H2,2H3,(H,22,23)
InChIKeyMSQFYVOSMCCENB-UHFFFAOYSA-N
XLogP3.55
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-chloro-5-[(E)-C-methyl-N-[(6-methyl-2-pyridinyl)methoxy]carbonimidoyl]phenoxy]carbamate
CID 59549515
methyl N-(2,5-dichlorophenoxy)carbamate
CID 14391361
methyl N-[2-chloro-5-[N-[(2-methoxyphenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]carbamate
CID 76755408
methyl N-[2-chloro-5-[C-methyl-N-[(2-methylphenyl)methoxy]carbonimidoyl]phenoxy]carbamate
CID 76755402
1-[4-chloro-3-(3,4-diethoxy-2-methylphenyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethenamine
CID 91544738
methyl N-[2-chloro-5-[(E)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenoxy]carbamate
CID 58308806
tert-butyl N-(5-acetyl-2-chlorophenoxy)carbamate;methyl N-(5-acetyl-2-chlorophenoxy)carbamate
CID 157292901
methyl 2-[2-[[1-[4-chloro-3-(methoxycarbonylamino)oxyphenyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 76755407
methyl N-(5-acetyl-2-chlorophenoxy)carbamate;methyl N-[2-chloro-5-[(E)-N-[(2-iodophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]carbamate
CID 172955065
methyl N-[2-chloro-5-[C-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethoxy]carbonimidoyl]phenoxy]carbamate
CID 76755372
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
methyl N-[5-[N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate
CID 76755359

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate?
The IUPAC name of methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate (CID 90848648) is methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate.
What is the SMILES notation for methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate?
The canonical SMILES for methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate is C=C(NOCc1cccc(CF)n1)c1ccc(Cl)c(ONC(=O)OC)c1.
What is the InChIKey of methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate?
The InChIKey is MSQFYVOSMCCENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O4/c1-11(21-25-10-14-5-3-4-13(9-19)20-14)12-6-7-15(18)16(8-12)26-22-17(23)24-2/h3-8,21H,1,9-10H2,2H3,(H,22,23).
What are the key properties of methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate?
methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate has a molecular weight of 381.79 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-chloro-5-[1-[[6-(fluoromethyl)-2-pyridinyl]methoxyamino]ethenyl]phenoxy]carbamate is sourced from PubChem (CID 90848648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).