(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide

C18H12Cl2N2O2 — CID 1363916

IUPAC(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cccnc1
InChIInChI=1S/C18H12Cl2N2O2/c19-12-3-6-15(16(20)10-12)17-7-4-14(24-17)5-8-18(23)22-13-2-1-9-21-11-13/h1-11H,(H,22,23)/b8-5+
InChIKeySVSUQJXXVIYJNQ-VMPITWQZSA-N
MW359.21 g/mol
LogP5.30
Rot. Bonds4

About (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide

(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide (PubChem CID 1363916) has the molecular formula C18H12Cl2N2O2 and a molecular weight of 359.21 g/mol. Its IUPAC name is (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
PubChem CID1363916
Molecular FormulaC18H12Cl2N2O2
Molecular Weight359.21 g/mol
Exact Mass358.03
IUPAC Name(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cccnc1
InChIInChI=1S/C18H12Cl2N2O2/c19-12-3-6-15(16(20)10-12)17-7-4-14(24-17)5-8-18(23)22-13-2-1-9-21-11-13/h1-11H,(H,22,23)/b8-5+
InChIKeySVSUQJXXVIYJNQ-VMPITWQZSA-N
XLogP5.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.21
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
CID 1363914
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
CID 3996225
3-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686262
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(pyridin-3-ylmethylcarbamothioyl)prop-2-enamide
CID 22779611
(E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17318879
(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one
CID 50884913
N-[4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]benzamide
CID 17117580
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 17111488
(E)-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17111307
2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide
CID 17319130
3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 5211022

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide (CID 1363916) is (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cccnc1.
What is the InChIKey of (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide?
The InChIKey is SVSUQJXXVIYJNQ-VMPITWQZSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2/c19-12-3-6-15(16(20)10-12)17-7-4-14(24-17)5-8-18(23)22-13-2-1-9-21-11-13/h1-11H,(H,22,23)/b8-5+.
What are the key properties of (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide?
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide has a molecular weight of 359.21 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 1363916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).