N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide

C20H13Cl3N2O3 — CID 1348018

IUPACN-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C20H13Cl3N2O3/c21-13-5-3-12(15(22)10-13)4-8-19(26)24-14-6-7-17(16(23)11-14)25-20(27)18-2-1-9-28-18/h1-11H,(H,24,26)(H,25,27)/b8-4+
InChIKeyZQOVEKFVXSBBNM-XBXARRHUSA-N
MW435.69 g/mol
LogP6.14
Rot. Bonds5

About N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide

N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 1348018) has the molecular formula C20H13Cl3N2O3 and a molecular weight of 435.69 g/mol. Its IUPAC name is N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
PubChem CID1348018
Molecular FormulaC20H13Cl3N2O3
Molecular Weight435.69 g/mol
Exact Mass434.00
IUPAC NameN-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C20H13Cl3N2O3/c21-13-5-3-12(15(22)10-13)4-8-19(26)24-14-6-7-17(16(23)11-14)25-20(27)18-2-1-9-28-18/h1-11H,(H,24,26)(H,25,27)/b8-4+
InChIKeyZQOVEKFVXSBBNM-XBXARRHUSA-N
XLogP6.14
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.69
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[4-[3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoylamino]-2-methylphenyl]furan-2-carboxamide
CID 1291185
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide
CID 1015757
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 55811858
(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 21371931
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 1333709
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 1348173
(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 28867729
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide (CID 1348018) is N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide is O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is ZQOVEKFVXSBBNM-XBXARRHUSA-N. The full InChI is InChI=1S/C20H13Cl3N2O3/c21-13-5-3-12(15(22)10-13)4-8-19(26)24-14-6-7-17(16(23)11-14)25-20(27)18-2-1-9-28-18/h1-11H,(H,24,26)(H,25,27)/b8-4+.
What are the key properties of N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide?
N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 435.69 g/mol, XLogP of 6.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1348018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).