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

C16H13F4N3O — CID 2344438

IUPAC2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(CNc1ccc(F)cc1)NN=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F4N3O/c17-13-5-7-14(8-6-13)21-10-15(24)23-22-9-11-1-3-12(4-2-11)16(18,19)20/h1-9,21H,10H2,(H,23,24)
InChIKeyKCGZYDLGEZGXPF-UHFFFAOYSA-N
MW339.29 g/mol
LogP3.41
Rot. Bonds5

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

2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 2344438) has the molecular formula C16H13F4N3O and a molecular weight of 339.29 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID2344438
Molecular FormulaC16H13F4N3O
Molecular Weight339.29 g/mol
Exact Mass339.10
IUPAC Name2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(CNc1ccc(F)cc1)NN=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F4N3O/c17-13-5-7-14(8-6-13)21-10-15(24)23-22-9-11-1-3-12(4-2-11)16(18,19)20/h1-9,21H,10H2,(H,23,24)
InChIKeyKCGZYDLGEZGXPF-UHFFFAOYSA-N
XLogP3.41
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 2356638
N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethyl)anilino]acetamide
CID 136628053
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416855
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide
CID 126361431
N'-[(4-fluorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 1101273
2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404241
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
2-(4-fluoroanilino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 770408
N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 7929512

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 2344438) is 2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is O=C(CNc1ccc(F)cc1)NN=Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is KCGZYDLGEZGXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3O/c17-13-5-7-14(8-6-13)21-10-15(24)23-22-9-11-1-3-12(4-2-11)16(18,19)20/h1-9,21H,10H2,(H,23,24).
What are the key properties of 2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 339.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 2344438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).