ethyl N-(2-nitrobenzoyl)carbamate

C10H10N2O5 — CID 154155950

IUPACethyl N-(2-nitrobenzoyl)carbamate
SMILESCCOC(=O)NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O5/c1-2-17-10(14)11-9(13)7-5-3-4-6-8(7)12(15)16/h3-6H,2H2,1H3,(H,11,13,14)
InChIKeySRPOCSJHJCSTJM-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.48
Rot. Bonds3

About ethyl N-(2-nitrobenzoyl)carbamate

ethyl N-(2-nitrobenzoyl)carbamate (PubChem CID 154155950) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is ethyl N-(2-nitrobenzoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-nitrobenzoyl)carbamate
PubChem CID154155950
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Nameethyl N-(2-nitrobenzoyl)carbamate
SMILESCCOC(=O)NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O5/c1-2-17-10(14)11-9(13)7-5-3-4-6-8(7)12(15)16/h3-6H,2H2,1H3,(H,11,13,14)
InChIKeySRPOCSJHJCSTJM-UHFFFAOYSA-N
XLogP1.48
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.48
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

ethyl N-[4-methyl-1-[(2-nitrobenzoyl)amino]pentan-2-yl]carbamate
CID 46432668
ethyl 2-ethyl-3-[(2-nitrobenzoyl)hydrazinylidene]butanoate
CID 2858115
ethoxycarbonyl 2-nitrobenzoate
CID 19805482
diethyl 2-(2-nitrobenzoyl)propanedioate
CID 5002686
N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
N-[(2-ethoxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 898993
N-[(4-ethoxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 882509
2-nitro-N-[[(2-nitrobenzoyl)carbamothioylamino]carbamothioyl]benzamide
CID 11981700
ethyl N-[5-[(2-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065546
ethyl carbamate;(2-nitrophenyl)-phenylmethanone
CID 162206932
[(2-nitrobenzoyl)amino]urea
CID 61061190
N-(butan-2-ylcarbamothioyl)-2-nitrobenzamide
CID 17137444

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-nitrobenzoyl)carbamate?
The IUPAC name of ethyl N-(2-nitrobenzoyl)carbamate (CID 154155950) is ethyl N-(2-nitrobenzoyl)carbamate.
What is the SMILES notation for ethyl N-(2-nitrobenzoyl)carbamate?
The canonical SMILES for ethyl N-(2-nitrobenzoyl)carbamate is CCOC(=O)NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of ethyl N-(2-nitrobenzoyl)carbamate?
The InChIKey is SRPOCSJHJCSTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-2-17-10(14)11-9(13)7-5-3-4-6-8(7)12(15)16/h3-6H,2H2,1H3,(H,11,13,14).
What are the key properties of ethyl N-(2-nitrobenzoyl)carbamate?
ethyl N-(2-nitrobenzoyl)carbamate has a molecular weight of 238.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-nitrobenzoyl)carbamate is sourced from PubChem (CID 154155950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).