N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide

C16H14F3N3O2 — CID 6902100

IUPACN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F3N3O2/c17-12-3-5-13(6-4-12)20-10-15(23)22-21-9-11-1-7-14(8-2-11)24-16(18)19/h1-9,16,20H,10H2,(H,22,23)/b21-9+
InChIKeyHNQILEVJXXMMEQ-ZVBGSRNCSA-N
MW337.30 g/mol
LogP2.99
Rot. Bonds7

About N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide

N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide (PubChem CID 6902100) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
PubChem CID6902100
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC NameN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F3N3O2/c17-12-3-5-13(6-4-12)20-10-15(23)22-21-9-11-1-7-14(8-2-11)24-16(18)19/h1-9,16,20H,10H2,(H,22,23)/b21-9+
InChIKeyHNQILEVJXXMMEQ-ZVBGSRNCSA-N
XLogP2.99
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide (CID 6902100) is N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide is O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide?
The InChIKey is HNQILEVJXXMMEQ-ZVBGSRNCSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-12-3-5-13(6-4-12)20-10-15(23)22-21-9-11-1-7-14(8-2-11)24-16(18)19/h1-9,16,20H,10H2,(H,22,23)/b21-9+.
What are the key properties of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide?
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide has a molecular weight of 337.30 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 6902100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).