(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide

C18H12ClIN2O2 — CID 17110766

IUPAC(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(I)cn1
InChIInChI=1S/C18H12ClIN2O2/c19-13-3-1-12(2-4-13)16-8-6-15(24-16)7-10-18(23)22-17-9-5-14(20)11-21-17/h1-11H,(H,21,22,23)/b10-7+
InChIKeyJPKUEHHPKWUULF-JXMROGBWSA-N
MW450.66 g/mol
LogP5.25
Rot. Bonds4

About (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide

(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide (PubChem CID 17110766) has the molecular formula C18H12ClIN2O2 and a molecular weight of 450.66 g/mol. Its IUPAC name is (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide
PubChem CID17110766
Molecular FormulaC18H12ClIN2O2
Molecular Weight450.66 g/mol
Exact Mass449.96
IUPAC Name(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(I)cn1
InChIInChI=1S/C18H12ClIN2O2/c19-13-3-1-12(2-4-13)16-8-6-15(24-16)7-10-18(23)22-17-9-5-14(20)11-21-17/h1-11H,(H,21,22,23)/b10-7+
InChIKeyJPKUEHHPKWUULF-JXMROGBWSA-N
XLogP5.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.66
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[(5-iodo-2-pyridinyl)carbamothioyl]prop-2-enamide
CID 21167746
N-[(2-chloro-4-iodophenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 3426666
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 3988299
(E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide
CID 6026462
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2-fluoro-4-iodophenyl)prop-2-enamide
CID 23098079
N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 4655342
3-[5-(4-chlorophenyl)furan-2-yl]-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide
CID 3989405
N-[(4-bromophenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 3904939
2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide
CID 4234240
N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide
CID 4312319
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 800746
N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 4008388

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide (CID 17110766) is (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide is O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(I)cn1.
What is the InChIKey of (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide?
The InChIKey is JPKUEHHPKWUULF-JXMROGBWSA-N. The full InChI is InChI=1S/C18H12ClIN2O2/c19-13-3-1-12(2-4-13)16-8-6-15(24-16)7-10-18(23)22-17-9-5-14(20)11-21-17/h1-11H,(H,21,22,23)/b10-7+.
What are the key properties of (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide?
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide has a molecular weight of 450.66 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 17110766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).