2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide

C15H13FIN3O — CID 126361431

IUPAC2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C\c1cccc(I)c1
InChIInChI=1S/C15H13FIN3O/c16-12-4-6-14(7-5-12)18-10-15(21)20-19-9-11-2-1-3-13(17)8-11/h1-9,18H,10H2,(H,20,21)/b19-9-
InChIKeyDXDAVMCQURBGTQ-OCKHKDLRSA-N
MW397.19 g/mol
LogP2.99
Rot. Bonds5

About 2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide

2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide (PubChem CID 126361431) has the molecular formula C15H13FIN3O and a molecular weight of 397.19 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide
PubChem CID126361431
Molecular FormulaC15H13FIN3O
Molecular Weight397.19 g/mol
Exact Mass397.01
IUPAC Name2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C\c1cccc(I)c1
InChIInChI=1S/C15H13FIN3O/c16-12-4-6-14(7-5-12)18-10-15(21)20-19-9-11-2-1-3-13(17)8-11/h1-9,18H,10H2,(H,20,21)/b19-9-
InChIKeyDXDAVMCQURBGTQ-OCKHKDLRSA-N
XLogP2.99
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291
N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 2356638
N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 126348826
2-(4-fluoroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126357905
2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2344438
2-(4-fluoroanilino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 770408
2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 137180677
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide
CID 94836370
2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404241
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416855
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174
N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689442

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide (CID 126361431) is 2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide is O=C(CNc1ccc(F)cc1)N/N=C\c1cccc(I)c1.
What is the InChIKey of 2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide?
The InChIKey is DXDAVMCQURBGTQ-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H13FIN3O/c16-12-4-6-14(7-5-12)18-10-15(21)20-19-9-11-2-1-3-13(17)8-11/h1-9,18H,10H2,(H,20,21)/b19-9-.
What are the key properties of 2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide?
2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide has a molecular weight of 397.19 g/mol, XLogP of 2.99, 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-[(Z)-(3-iodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 126361431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).