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

C24H16N2O6 — CID 4736046

IUPACN-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
SMILESO=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C24H16N2O6/c27-21(17-3-1-4-18(15-17)25-24(28)23-5-2-14-31-23)12-10-20-11-13-22(32-20)16-6-8-19(9-7-16)26(29)30/h1-15H,(H,25,28)
InChIKeyXZVDMONATQLKKA-UHFFFAOYSA-N
MW428.40 g/mol
LogP5.60
Rot. Bonds7

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

N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide (PubChem CID 4736046) has the molecular formula C24H16N2O6 and a molecular weight of 428.40 g/mol. Its IUPAC name is N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
PubChem CID4736046
Molecular FormulaC24H16N2O6
Molecular Weight428.40 g/mol
Exact Mass428.10
IUPAC NameN-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
SMILESO=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C24H16N2O6/c27-21(17-3-1-4-18(15-17)25-24(28)23-5-2-14-31-23)12-10-20-11-13-22(32-20)16-6-8-19(9-7-16)26(29)30/h1-15H,(H,25,28)
InChIKeyXZVDMONATQLKKA-UHFFFAOYSA-N
XLogP5.60
TPSA115.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.40
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736077
N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 2953430
N-[3-[(E)-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 18830583
(E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 7947265
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 4213357
N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127976
(E)-1-(3,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19569102
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 5337275
4-nitro-N-[3-[3-[3-[(4-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]benzamide
CID 3092314
N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
CID 32878628
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide (CID 4736046) is N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide is O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide?
The InChIKey is XZVDMONATQLKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O6/c27-21(17-3-1-4-18(15-17)25-24(28)23-5-2-14-31-23)12-10-20-11-13-22(32-20)16-6-8-19(9-7-16)26(29)30/h1-15H,(H,25,28).
What are the key properties of N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide?
N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide has a molecular weight of 428.40 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 4736046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).