N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide

C23H19IN4O2 — CID 4561831

IUPACN-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
SMILESN#Cc1ccccc1COc1ccc(C=NNC(=O)CNc2ccc(I)cc2)cc1
InChIInChI=1S/C23H19IN4O2/c24-20-7-9-21(10-8-20)26-15-23(29)28-27-14-17-5-11-22(12-6-17)30-16-19-4-2-1-3-18(19)13-25/h1-12,14,26H,15-16H2,(H,28,29)
InChIKeyRBXWQPMERBCCIT-UHFFFAOYSA-N
MW510.34 g/mol
LogP4.30
Rot. Bonds8

About N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide

N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide (PubChem CID 4561831) has the molecular formula C23H19IN4O2 and a molecular weight of 510.34 g/mol. Its IUPAC name is N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide.

Molecular Properties

Compound NameN-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
PubChem CID4561831
Molecular FormulaC23H19IN4O2
Molecular Weight510.34 g/mol
Exact Mass510.06
IUPAC NameN-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
SMILESN#Cc1ccccc1COc1ccc(C=NNC(=O)CNc2ccc(I)cc2)cc1
InChIInChI=1S/C23H19IN4O2/c24-20-7-9-21(10-8-20)26-15-23(29)28-27-14-17-5-11-22(12-6-17)30-16-19-4-2-1-3-18(19)13-25/h1-12,14,26H,15-16H2,(H,28,29)
InChIKeyRBXWQPMERBCCIT-UHFFFAOYSA-N
XLogP4.30
TPSA86.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.34
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126048433
2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1243754
N-[(E)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126365396
N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide
CID 7025797
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 5109215
2-anilino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126380906
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687
2-(4-bromoanilino)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126367989
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174
N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 1018695
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126270444

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide?
The IUPAC name of N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide (CID 4561831) is N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide.
What is the SMILES notation for N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide?
The canonical SMILES for N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide is N#Cc1ccccc1COc1ccc(C=NNC(=O)CNc2ccc(I)cc2)cc1.
What is the InChIKey of N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide?
The InChIKey is RBXWQPMERBCCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19IN4O2/c24-20-7-9-21(10-8-20)26-15-23(29)28-27-14-17-5-11-22(12-6-17)30-16-19-4-2-1-3-18(19)13-25/h1-12,14,26H,15-16H2,(H,28,29).
What are the key properties of N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide?
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide has a molecular weight of 510.34 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide is sourced from PubChem (CID 4561831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).