N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide

C22H20N2O5 — CID 4952704

IUPACN-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C22H20N2O5/c1-16-15-18(24(26)27)9-12-21(16)23-22(25)17-7-10-20(11-8-17)29-14-13-28-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,23,25)
InChIKeyQIYDUYPDBJMNPU-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.61
Rot. Bonds8

About N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide

N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide (PubChem CID 4952704) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
PubChem CID4952704
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC NameN-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C22H20N2O5/c1-16-15-18(24(26)27)9-12-21(16)23-22(25)17-7-10-20(11-8-17)29-14-13-28-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,23,25)
InChIKeyQIYDUYPDBJMNPU-UHFFFAOYSA-N
XLogP4.61
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide 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-4-nitrophenyl)benzamide
CID 4936149
N-(2-methyl-4-nitrophenyl)-4-phenylmethoxybenzamide
CID 2916153
N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952710
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
4-heptoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 4950611
3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4992628
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 18280294
N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide
CID 2993485
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773
4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 19170787
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide (CID 4952704) is N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide?
The InChIKey is QIYDUYPDBJMNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-16-15-18(24(26)27)9-12-21(16)23-22(25)17-7-10-20(11-8-17)29-14-13-28-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,23,25).
What are the key properties of N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide?
N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide has a molecular weight of 392.41 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4952704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).