N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide

C20H16N2O4 — CID 872614

IUPACN-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESCc1ccccc1NC(=O)C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C20H16N2O4/c1-14-6-2-4-8-17(14)21-20(23)13-11-15-10-12-19(26-15)16-7-3-5-9-18(16)22(24)25/h2-13H,1H3,(H,21,23)
InChIKeySEWRJIVSYZOMJP-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.82
Rot. Bonds5

About N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide

N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide (PubChem CID 872614) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
PubChem CID872614
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESCc1ccccc1NC(=O)C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C20H16N2O4/c1-14-6-2-4-8-17(14)21-20(23)13-11-15-10-12-19(26-15)16-7-3-5-9-18(16)22(24)25/h2-13H,1H3,(H,21,23)
InChIKeySEWRJIVSYZOMJP-UHFFFAOYSA-N
XLogP4.82
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide 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

(E)-N-(2-methoxyphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 1244910
(E)-N-(2-methylphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 800692
(E)-N-(2,5-dichlorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 1244901
(E)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 17335801
(E)-N-hydroxy-3-[5-(2-methyl-3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 91678271
3-methyl-4-[[(E)-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686408
1-cyclopropyl-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 874866
(E)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 17098484
(E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 17335895
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(2-nitrophenyl)carbamothioyl]prop-2-enamide
CID 4531416
methyl 4-(4-benzoylpiperazin-1-yl)-3-[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate
CID 17092150
3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enal
CID 4771794

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide (CID 872614) is N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide is Cc1ccccc1NC(=O)C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is SEWRJIVSYZOMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-14-6-2-4-8-17(14)21-20(23)13-11-15-10-12-19(26-15)16-7-3-5-9-18(16)22(24)25/h2-13H,1H3,(H,21,23).
What are the key properties of N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide?
N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 348.36 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 872614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).