5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide

C19H14Cl2INO2 — CID 17117529

IUPAC5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide
SMILESCCc1cc(I)ccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H14Cl2INO2/c1-2-11-9-13(22)4-6-16(11)23-19(24)18-8-7-17(25-18)12-3-5-14(20)15(21)10-12/h3-10H,2H2,1H3,(H,23,24)
InChIKeyRNNKOIMWWHISLC-UHFFFAOYSA-N
MW486.14 g/mol
LogP6.67
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide

5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide (PubChem CID 17117529) has the molecular formula C19H14Cl2INO2 and a molecular weight of 486.14 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide
PubChem CID17117529
Molecular FormulaC19H14Cl2INO2
Molecular Weight486.14 g/mol
Exact Mass484.94
IUPAC Name5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide
SMILESCCc1cc(I)ccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H14Cl2INO2/c1-2-11-9-13(22)4-6-16(11)23-19(24)18-8-7-17(25-18)12-3-5-14(20)15(21)10-12/h3-10H,2H2,1H3,(H,23,24)
InChIKeyRNNKOIMWWHISLC-UHFFFAOYSA-N
XLogP6.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.14
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3580369
3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide
CID 5014387
N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 100828257
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214
5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 4309569
5-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)furan-2-carboxamide
CID 2232193
N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 23819573
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[(2-ethyl-4-iodophenyl)carbamothioyl]prop-2-enamide
CID 21169618
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17117616
5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 17176944
5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 2237354

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide (CID 17117529) is 5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide is CCc1cc(I)ccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide?
The InChIKey is RNNKOIMWWHISLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2INO2/c1-2-11-9-13(22)4-6-16(11)23-19(24)18-8-7-17(25-18)12-3-5-14(20)15(21)10-12/h3-10H,2H2,1H3,(H,23,24).
What are the key properties of 5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide?
5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide has a molecular weight of 486.14 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide is sourced from PubChem (CID 17117529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).