N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide

C17H16N2O4 — CID 2993485

IUPACN-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C17H16N2O4/c1-3-10-23-15-8-5-13(6-9-15)17(20)18-16-11-14(19(21)22)7-4-12(16)2/h3-9,11H,1,10H2,2H3,(H,18,20)
InChIKeyWDZWKKFUJFLHGP-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.72
Rot. Bonds6

About N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide

N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide (PubChem CID 2993485) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide
PubChem CID2993485
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C17H16N2O4/c1-3-10-23-15-8-5-13(6-9-15)17(20)18-16-11-14(19(21)22)7-4-12(16)2/h3-9,11H,1,10H2,2H3,(H,18,20)
InChIKeyWDZWKKFUJFLHGP-UHFFFAOYSA-N
XLogP3.72
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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)-4-prop-2-enoxybenzamide 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

4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
4-heptoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 4950611
4-[4-[(2-methyl-5-nitroanilino)methoxy]phenoxy]-N-(2-methyl-5-nitrophenyl)benzamide
CID 23531488
N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
CID 46463696
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4936149
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952704
methyl 4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]benzoate
CID 7965140
4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 3342317

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide (CID 2993485) is N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide?
The InChIKey is WDZWKKFUJFLHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-3-10-23-15-8-5-13(6-9-15)17(20)18-16-11-14(19(21)22)7-4-12(16)2/h3-9,11H,1,10H2,2H3,(H,18,20).
What are the key properties of N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide?
N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide has a molecular weight of 312.33 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 2993485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).