N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide

C13H10F4N4O4 — CID 57069423

IUPACN-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide
SMILESCON=C(C#N)C(=O)NC(=O)Nc1ccc(OC(F)C(F)(F)F)cc1
InChIInChI=1S/C13H10F4N4O4/c1-24-21-9(6-18)10(22)20-12(23)19-7-2-4-8(5-3-7)25-11(14)13(15,16)17/h2-5,11H,1H3,(H2,19,20,22,23)
InChIKeyHYRWAPOHUIVYRD-UHFFFAOYSA-N
MW362.24 g/mol
LogP2.10
Rot. Bonds5

About N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide

N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide (PubChem CID 57069423) has the molecular formula C13H10F4N4O4 and a molecular weight of 362.24 g/mol. Its IUPAC name is N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide.

Molecular Properties

Compound NameN-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide
PubChem CID57069423
Molecular FormulaC13H10F4N4O4
Molecular Weight362.24 g/mol
Exact Mass362.06
IUPAC NameN-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide
SMILESCON=C(C#N)C(=O)NC(=O)Nc1ccc(OC(F)C(F)(F)F)cc1
InChIInChI=1S/C13H10F4N4O4/c1-24-21-9(6-18)10(22)20-12(23)19-7-2-4-8(5-3-7)25-11(14)13(15,16)17/h2-5,11H,1H3,(H2,19,20,22,23)
InChIKeyHYRWAPOHUIVYRD-UHFFFAOYSA-N
XLogP2.10
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328949
2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 154103046
(Z)-2-cyano-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-hydroxybut-2-enamide
CID 150075770
3-[[4-(difluoromethoxy)phenyl]carbamoylamino]-2-methoxypropanoic acid
CID 106109697
1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57059060
1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919120
(1E)-N-methoxy-2-oxo-2-[(2E)-2-(2,2,2-trichloroethylidene)hydrazinyl]ethanimidoyl cyanide
CID 117063855
(2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide
CID 95298417
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide
CID 43146435

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide?
The IUPAC name of N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide (CID 57069423) is N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide.
What is the SMILES notation for N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide?
The canonical SMILES for N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide is CON=C(C#N)C(=O)NC(=O)Nc1ccc(OC(F)C(F)(F)F)cc1.
What is the InChIKey of N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide?
The InChIKey is HYRWAPOHUIVYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N4O4/c1-24-21-9(6-18)10(22)20-12(23)19-7-2-4-8(5-3-7)25-11(14)13(15,16)17/h2-5,11H,1H3,(H2,19,20,22,23).
What are the key properties of N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide?
N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide has a molecular weight of 362.24 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide is sourced from PubChem (CID 57069423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).