N-(2-methoxyacetyl)-4-nitrobenzamide

C10H10N2O5 — CID 134085737

IUPACN-(2-methoxyacetyl)-4-nitrobenzamide
SMILESCOCC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O5/c1-17-6-9(13)11-10(14)7-2-4-8(5-3-7)12(15)16/h2-5H,6H2,1H3,(H,11,13,14)
InChIKeyITXFRHFZMQGZTR-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.50
Rot. Bonds4

About N-(2-methoxyacetyl)-4-nitrobenzamide

N-(2-methoxyacetyl)-4-nitrobenzamide (PubChem CID 134085737) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is N-(2-methoxyacetyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-methoxyacetyl)-4-nitrobenzamide
PubChem CID134085737
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC NameN-(2-methoxyacetyl)-4-nitrobenzamide
SMILESCOCC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O5/c1-17-6-9(13)11-10(14)7-2-4-8(5-3-7)12(15)16/h2-5H,6H2,1H3,(H,11,13,14)
InChIKeyITXFRHFZMQGZTR-UHFFFAOYSA-N
XLogP0.50
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
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

4-nitro-N-octadecanoylbenzamide
CID 102032095
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
methyl 3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxopropanoate
CID 22911679
2-[(4-nitrobenzoyl)amino]oxyacetic acid
CID 60668150
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
4-nitrobenzohydrazide;hydrochloride
CID 172718286
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
[(E)-1-methoxypropan-2-ylideneamino] 4-nitrobenzoate
CID 87841133
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-nitrobenzoate
CID 2501944
ethyl (E)-4-[(4-nitrobenzoyl)amino]-4-oxobut-2-enoate
CID 10924285
4-nitro-N-trimethylsilylbenzamide
CID 12726300
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-nitrobenzoate
CID 7769376

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyacetyl)-4-nitrobenzamide?
The IUPAC name of N-(2-methoxyacetyl)-4-nitrobenzamide (CID 134085737) is N-(2-methoxyacetyl)-4-nitrobenzamide.
What is the SMILES notation for N-(2-methoxyacetyl)-4-nitrobenzamide?
The canonical SMILES for N-(2-methoxyacetyl)-4-nitrobenzamide is COCC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxyacetyl)-4-nitrobenzamide?
The InChIKey is ITXFRHFZMQGZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-17-6-9(13)11-10(14)7-2-4-8(5-3-7)12(15)16/h2-5H,6H2,1H3,(H,11,13,14).
What are the key properties of N-(2-methoxyacetyl)-4-nitrobenzamide?
N-(2-methoxyacetyl)-4-nitrobenzamide has a molecular weight of 238.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyacetyl)-4-nitrobenzamide is sourced from PubChem (CID 134085737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).