N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide

C16H16FN3O2 — CID 5404184

IUPACN-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C\c1ccccc1F
InChIInChI=1S/C16H16FN3O2/c1-22-15-9-5-4-8-14(15)18-11-16(21)20-19-10-12-6-2-3-7-13(12)17/h2-10,18H,11H2,1H3,(H,20,21)/b19-10-
InChIKeyXCYZYVRLHRGIQT-GRSHGNNSSA-N
MW301.32 g/mol
LogP2.40
Rot. Bonds6

About N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide

N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide (PubChem CID 5404184) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
PubChem CID5404184
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C\c1ccccc1F
InChIInChI=1S/C16H16FN3O2/c1-22-15-9-5-4-8-14(15)18-11-16(21)20-19-10-12-6-2-3-7-13(12)17/h2-10,18H,11H2,1H3,(H,20,21)/b19-10-
InChIKeyXCYZYVRLHRGIQT-GRSHGNNSSA-N
XLogP2.40
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
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)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 3921496
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135541691
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 968305
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6910859
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 6910847
N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 1272919
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 171985531
2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 7256123
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5401700

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide (CID 5404184) is N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)N/N=C\c1ccccc1F.
What is the InChIKey of N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The InChIKey is XCYZYVRLHRGIQT-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-22-15-9-5-4-8-14(15)18-11-16(21)20-19-10-12-6-2-3-7-13(12)17/h2-10,18H,11H2,1H3,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide has a molecular weight of 301.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 5404184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).