N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide

C22H18FI2N3O2 — CID 126348826

IUPACN-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1
InChIInChI=1S/C22H18FI2N3O2/c23-17-6-8-18(9-7-17)26-13-21(29)28-27-12-16-10-19(24)22(20(25)11-16)30-14-15-4-2-1-3-5-15/h1-12,26H,13-14H2,(H,28,29)/b27-12-
InChIKeyHKITVZDNZLWJEY-PPDIBHTLSA-N
MW629.21 g/mol
LogP5.18
Rot. Bonds8

About N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide

N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide (PubChem CID 126348826) has the molecular formula C22H18FI2N3O2 and a molecular weight of 629.21 g/mol. Its IUPAC name is N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
PubChem CID126348826
Molecular FormulaC22H18FI2N3O2
Molecular Weight629.21 g/mol
Exact Mass628.95
IUPAC NameN-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1
InChIInChI=1S/C22H18FI2N3O2/c23-17-6-8-18(9-7-17)26-13-21(29)28-27-12-16-10-19(24)22(20(25)11-16)30-14-15-4-2-1-3-5-15/h1-12,26H,13-14H2,(H,28,29)/b27-12-
InChIKeyHKITVZDNZLWJEY-PPDIBHTLSA-N
XLogP5.18
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.21
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide
CID 126380581
2-(4-bromoanilino)-N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126362656
N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
CID 126363332
N-[(E)-[3,5-diiodo-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126250456
2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19061261
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126226811
2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 137180677
2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide
CID 126361431
N-[(E)-[4-[(2-cyanophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126261424
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
CID 126368738
N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291
2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide
CID 126390386

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide (CID 126348826) is N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide is O=C(CNc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1.
What is the InChIKey of N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The InChIKey is HKITVZDNZLWJEY-PPDIBHTLSA-N. The full InChI is InChI=1S/C22H18FI2N3O2/c23-17-6-8-18(9-7-17)26-13-21(29)28-27-12-16-10-19(24)22(20(25)11-16)30-14-15-4-2-1-3-5-15/h1-12,26H,13-14H2,(H,28,29)/b27-12-.
What are the key properties of N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide has a molecular weight of 629.21 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 126348826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).