N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide

C25H18Cl2N2O4 — CID 17313609

IUPACN-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C25H18Cl2N2O4/c1-15-7-8-16(28-25(31)22-6-3-13-32-22)14-20(15)29-23(30)12-10-17-9-11-21(33-17)18-4-2-5-19(26)24(18)27/h2-14H,1H3,(H,28,31)(H,29,30)/b12-10+
InChIKeySTRAGFHTCVNBCU-ZRDIBKRKSA-N
MW481.34 g/mol
LogP7.06
Rot. Bonds6

About N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide

N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide (PubChem CID 17313609) has the molecular formula C25H18Cl2N2O4 and a molecular weight of 481.34 g/mol. Its IUPAC name is N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide
PubChem CID17313609
Molecular FormulaC25H18Cl2N2O4
Molecular Weight481.34 g/mol
Exact Mass480.06
IUPAC NameN-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C25H18Cl2N2O4/c1-15-7-8-16(28-25(31)22-6-3-13-32-22)14-20(15)29-23(30)12-10-17-9-11-21(33-17)18-4-2-5-19(26)24(18)27/h2-14H,1H3,(H,28,31)(H,29,30)/b12-10+
InChIKeySTRAGFHTCVNBCU-ZRDIBKRKSA-N
XLogP7.06
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.34
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 17335701
N-[4-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17319117
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide
CID 4528607
N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673672
3-[[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylbenzoic acid
CID 28686356
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 4555337
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide
CID 17313821
N-[4-[3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]-2-methylphenyl]benzamide
CID 5240097
N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736219
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,3-dichlorophenyl)prop-2-enamide
CID 6303145
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 4025058

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide (CID 17313609) is N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide?
The InChIKey is STRAGFHTCVNBCU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C25H18Cl2N2O4/c1-15-7-8-16(28-25(31)22-6-3-13-32-22)14-20(15)29-23(30)12-10-17-9-11-21(33-17)18-4-2-5-19(26)24(18)27/h2-14H,1H3,(H,28,31)(H,29,30)/b12-10+.
What are the key properties of N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide?
N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide has a molecular weight of 481.34 g/mol, XLogP of 7.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 17313609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).