N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide

C11H10ClF3N2O3 — CID 137475314

IUPACN-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide
SMILESCOC/C(=N\NC=O)c1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C11H10ClF3N2O3/c1-19-5-9(17-16-6-18)7-2-3-8(12)10(4-7)20-11(13,14)15/h2-4,6H,5H2,1H3,(H,16,18)/b17-9+
InChIKeyGEZOQBDLBTWXEI-RQZCQDPDSA-N
MW310.66 g/mol
LogP2.34
Rot. Bonds6

About N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide

N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide (PubChem CID 137475314) has the molecular formula C11H10ClF3N2O3 and a molecular weight of 310.66 g/mol. Its IUPAC name is N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide.

Molecular Properties

Compound NameN-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide
PubChem CID137475314
Molecular FormulaC11H10ClF3N2O3
Molecular Weight310.66 g/mol
Exact Mass310.03
IUPAC NameN-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide
SMILESCOC/C(=N\NC=O)c1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C11H10ClF3N2O3/c1-19-5-9(17-16-6-18)7-2-3-8(12)10(4-7)20-11(13,14)15/h2-4,6H,5H2,1H3,(H,16,18)/b17-9+
InChIKeyGEZOQBDLBTWXEI-RQZCQDPDSA-N
XLogP2.34
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide?
The IUPAC name of N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide (CID 137475314) is N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide.
What is the SMILES notation for N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide?
The canonical SMILES for N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide is COC/C(=N\NC=O)c1ccc(Cl)c(OC(F)(F)F)c1.
What is the InChIKey of N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide?
The InChIKey is GEZOQBDLBTWXEI-RQZCQDPDSA-N. The full InChI is InChI=1S/C11H10ClF3N2O3/c1-19-5-9(17-16-6-18)7-2-3-8(12)10(4-7)20-11(13,14)15/h2-4,6H,5H2,1H3,(H,16,18)/b17-9+.
What are the key properties of N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide?
N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide has a molecular weight of 310.66 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide is sourced from PubChem (CID 137475314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).