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

C24H15Cl2NO4 — CID 4736219

IUPACN-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
SMILESO=C(C=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H15Cl2NO4/c25-16-5-10-20(26)19(14-16)22-12-9-18(31-22)8-11-21(28)15-3-6-17(7-4-15)27-24(29)23-2-1-13-30-23/h1-14H,(H,27,29)
InChIKeyUBCODZOOZLPMHM-UHFFFAOYSA-N
MW452.29 g/mol
LogP6.99
Rot. Bonds6

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

N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide (PubChem CID 4736219) has the molecular formula C24H15Cl2NO4 and a molecular weight of 452.29 g/mol. Its IUPAC name is N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
PubChem CID4736219
Molecular FormulaC24H15Cl2NO4
Molecular Weight452.29 g/mol
Exact Mass451.04
IUPAC NameN-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
SMILESO=C(C=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H15Cl2NO4/c25-16-5-10-20(26)19(14-16)22-12-9-18(31-22)8-11-21(28)15-3-6-17(7-4-15)27-24(29)23-2-1-13-30-23/h1-14H,(H,27,29)
InChIKeyUBCODZOOZLPMHM-UHFFFAOYSA-N
XLogP6.99
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.29
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 2953430
(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5342442
N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide
CID 4736275
N-[4-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 18830468
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide
CID 17313609
3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-(3-nitrophenyl)prop-2-en-1-one
CID 4736214
N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide
CID 53324776
5-(2,5-dichlorophenyl)-N-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 9091487
N-[3-[3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736077
5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide
CID 17127399
N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736046

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide (CID 4736219) is N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide is O=C(C=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide?
The InChIKey is UBCODZOOZLPMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2NO4/c25-16-5-10-20(26)19(14-16)22-12-9-18(31-22)8-11-21(28)15-3-6-17(7-4-15)27-24(29)23-2-1-13-30-23/h1-14H,(H,27,29).
What are the key properties of N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide?
N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide has a molecular weight of 452.29 g/mol, XLogP of 6.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 4736219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).