2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide

C16H15N3O5 — CID 34795494

IUPAC2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H15N3O5/c1-10-6-7-11(19(22)23)8-13(10)18-16(21)12-4-2-3-5-14(12)24-9-15(17)20/h2-8H,9H2,1H3,(H2,17,20)(H,18,21)
InChIKeyYXRWKRFPJDMAJI-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.02
Rot. Bonds6

About 2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide

2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 34795494) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID34795494
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H15N3O5/c1-10-6-7-11(19(22)23)8-13(10)18-16(21)12-4-2-3-5-14(12)24-9-15(17)20/h2-8H,9H2,1H3,(H2,17,20)(H,18,21)
InChIKeyYXRWKRFPJDMAJI-UHFFFAOYSA-N
XLogP2.02
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-2-oxoethoxy)-N-(2,5-dimethylphenyl)benzamide
CID 34795428
2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7859185
methyl 2-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]benzoate
CID 7763962
2-(2-ethoxyethoxy)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide
CID 17122964
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide
CID 2931673
2-(2-amino-2-oxoethoxy)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9453585
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-nitrobenzoate
CID 7864340
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4141908
N-(3-chloro-4-methylphenyl)-2-[2-(4-nitrophenyl)-2-oxoethoxy]benzamide
CID 1328732
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 78794488

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide (CID 34795494) is 2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCC(N)=O.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is YXRWKRFPJDMAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-10-6-7-11(19(22)23)8-13(10)18-16(21)12-4-2-3-5-14(12)24-9-15(17)20/h2-8H,9H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide?
2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 329.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 34795494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).