N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide

C16H13N3O5 — CID 5053841

IUPACN-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H13N3O5/c1-11-2-6-14(19(23)24)10-15(11)17-16(20)9-5-12-3-7-13(8-4-12)18(21)22/h2-10H,1H3,(H,17,20)
InChIKeyRCLJMFZBTINBEJ-UHFFFAOYSA-N
MW327.30 g/mol
LogP3.46
Rot. Bonds5

About N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide

N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 5053841) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID5053841
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC NameN-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H13N3O5/c1-11-2-6-14(19(23)24)10-15(11)17-16(20)9-5-12-3-7-13(8-4-12)18(21)22/h2-10H,1H3,(H,17,20)
InChIKeyRCLJMFZBTINBEJ-UHFFFAOYSA-N
XLogP3.46
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-5-nitrophenyl)-3-(4-nitrophenyl)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-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 897528
3-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 898455
(E)-3-(4-aminophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 84553779
3-(4-tert-butylphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 805453
(E)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187128
(E)-N-(2-methyl-5-nitrophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26576813
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 78783898
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 51161619
N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide
CID 67494338
3-(4-nitrophenyl)-N-[3-[3-(4-nitrophenyl)prop-2-enoylamino]naphthalen-2-yl]prop-2-enamide
CID 3974611
(E)-N-(5-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 884286
(E)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 60534867

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide (CID 5053841) is N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is RCLJMFZBTINBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-11-2-6-14(19(23)24)10-15(11)17-16(20)9-5-12-3-7-13(8-4-12)18(21)22/h2-10H,1H3,(H,17,20).
What are the key properties of N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide?
N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 327.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 5053841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).