N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide

C19H12Cl2I2N2O3 — CID 21380054

IUPACN-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccco1
InChIInChI=1S/C19H12Cl2I2N2O3/c20-13-4-3-12(14(21)8-13)10-28-18-15(22)6-11(7-16(18)23)9-24-25-19(26)17-2-1-5-27-17/h1-9H,10H2,(H,25,26)/b24-9+
InChIKeyYPLBNYZTHZVNFR-PGGKNCGUSA-N
MW641.03 g/mol
LogP6.14
Rot. Bonds6

About N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide

N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide (PubChem CID 21380054) has the molecular formula C19H12Cl2I2N2O3 and a molecular weight of 641.03 g/mol. Its IUPAC name is N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide
PubChem CID21380054
Molecular FormulaC19H12Cl2I2N2O3
Molecular Weight641.03 g/mol
Exact Mass639.83
IUPAC NameN-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccco1
InChIInChI=1S/C19H12Cl2I2N2O3/c20-13-4-3-12(14(21)8-13)10-28-18-15(22)6-11(7-16(18)23)9-24-25-19(26)17-2-1-5-27-17/h1-9H,10H2,(H,25,26)/b24-9+
InChIKeyYPLBNYZTHZVNFR-PGGKNCGUSA-N
XLogP6.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.03
LogP ≤ 56.14
H-Bond Donors ≤ 51
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

N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide
CID 99665225
2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide
CID 126152983
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 126145584
2-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 124602192
5-chloro-N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126024892
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide
CID 17246204
5-chloro-N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126031279
4-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126374011
2-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]pyridine-3-carboxamide
CID 3992862
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 124537190
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide
CID 3329180
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126251707

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide (CID 21380054) is N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccco1.
What is the InChIKey of N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide?
The InChIKey is YPLBNYZTHZVNFR-PGGKNCGUSA-N. The full InChI is InChI=1S/C19H12Cl2I2N2O3/c20-13-4-3-12(14(21)8-13)10-28-18-15(22)6-11(7-16(18)23)9-24-25-19(26)17-2-1-5-27-17/h1-9H,10H2,(H,25,26)/b24-9+.
What are the key properties of N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide?
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide has a molecular weight of 641.03 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 21380054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).