N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide

C19H14Cl2IN3O2 — CID 126088985

IUPACN-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide
SMILESO=C(CNc1ccc(I)cc1)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H14Cl2IN3O2/c20-16-7-1-12(9-17(16)21)18-8-6-15(27-18)10-24-25-19(26)11-23-14-4-2-13(22)3-5-14/h1-10,23H,11H2,(H,25,26)/b24-10-
InChIKeyQKLUNSZEJJDMKM-VROXFSQNSA-N
MW514.15 g/mol
LogP5.42
Rot. Bonds6

About N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide

N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide (PubChem CID 126088985) has the molecular formula C19H14Cl2IN3O2 and a molecular weight of 514.15 g/mol. Its IUPAC name is N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide
PubChem CID126088985
Molecular FormulaC19H14Cl2IN3O2
Molecular Weight514.15 g/mol
Exact Mass512.95
IUPAC NameN-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide
SMILESO=C(CNc1ccc(I)cc1)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H14Cl2IN3O2/c20-16-7-1-12(9-17(16)21)18-8-6-15(27-18)10-24-25-19(26)11-23-14-4-2-13(22)3-5-14/h1-10,23H,11H2,(H,25,26)/b24-10-
InChIKeyQKLUNSZEJJDMKM-VROXFSQNSA-N
XLogP5.42
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.15
LogP ≤ 55.42
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-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126355492
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126182695
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
2-(4-bromoanilino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126351374
4-[5-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368332
2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126088791
2-(4-bromoanilino)-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126356740
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylanilino)acetamide
CID 1118885
N'-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-(2-phenylethyl)propanediamide
CID 94837559
2-anilino-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 5443599
N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 5190552
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide?
The IUPAC name of N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide (CID 126088985) is N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide.
What is the SMILES notation for N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide?
The canonical SMILES for N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide is O=C(CNc1ccc(I)cc1)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide?
The InChIKey is QKLUNSZEJJDMKM-VROXFSQNSA-N. The full InChI is InChI=1S/C19H14Cl2IN3O2/c20-16-7-1-12(9-17(16)21)18-8-6-15(27-18)10-24-25-19(26)11-23-14-4-2-13(22)3-5-14/h1-10,23H,11H2,(H,25,26)/b24-10-.
What are the key properties of N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide?
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide has a molecular weight of 514.15 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide is sourced from PubChem (CID 126088985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).