N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide

C17H17N3O5 — CID 2208926

IUPACN-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O5/c1-25-11-10-18-17(22)14-4-2-3-5-15(14)19-16(21)12-6-8-13(9-7-12)20(23)24/h2-9H,10-11H2,1H3,(H,18,22)(H,19,21)
InChIKeySBVSWIUUXOOBGD-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.22
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide

N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide (PubChem CID 2208926) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
PubChem CID2208926
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O5/c1-25-11-10-18-17(22)14-4-2-3-5-15(14)19-16(21)12-6-8-13(9-7-12)20(23)24/h2-9H,10-11H2,1H3,(H,18,22)(H,19,21)
InChIKeySBVSWIUUXOOBGD-UHFFFAOYSA-N
XLogP2.22
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126001886
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155
N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40742879
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 4949361
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(4-nitrobenzoyl)amino]benzoate
CID 23934195
2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
CID 60572009
methyl 2-hydroxy-3-[(4-nitrobenzoyl)amino]benzoate
CID 71425955
N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
CID 17204997

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide (CID 2208926) is N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide is COCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide?
The InChIKey is SBVSWIUUXOOBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-25-11-10-18-17(22)14-4-2-3-5-15(14)19-16(21)12-6-8-13(9-7-12)20(23)24/h2-9H,10-11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide?
N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide has a molecular weight of 343.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 2208926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).