2-(diethylamino)-N-hydroxy-5-nitrobenzamide

C11H15N3O4 — CID 91678196

IUPAC2-(diethylamino)-N-hydroxy-5-nitrobenzamide
SMILESCCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NO
InChIInChI=1S/C11H15N3O4/c1-3-13(4-2)10-6-5-8(14(17)18)7-9(10)11(15)12-16/h5-7,16H,3-4H2,1-2H3,(H,12,15)
InChIKeyUDCBUSRYCYRJPN-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.56
Rot. Bonds5

About 2-(diethylamino)-N-hydroxy-5-nitrobenzamide

2-(diethylamino)-N-hydroxy-5-nitrobenzamide (PubChem CID 91678196) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(diethylamino)-N-hydroxy-5-nitrobenzamide.

Molecular Properties

Compound Name2-(diethylamino)-N-hydroxy-5-nitrobenzamide
PubChem CID91678196
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-(diethylamino)-N-hydroxy-5-nitrobenzamide
SMILESCCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NO
InChIInChI=1S/C11H15N3O4/c1-3-13(4-2)10-6-5-8(14(17)18)7-9(10)11(15)12-16/h5-7,16H,3-4H2,1-2H3,(H,12,15)
InChIKeyUDCBUSRYCYRJPN-UHFFFAOYSA-N
XLogP1.56
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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

1-[2-[ethyl(2-methoxyethyl)amino]-5-nitrophenyl]ethanone
CID 55129442
N,N-diethyl-2-fluoro-4-nitroaniline
CID 67995604
2-(chloromethyl)-N,N-diethyl-4-nitroaniline
CID 28964274
2-(4-methylphenoxy)ethyl 2-(diethylamino)-5-nitrobenzoate
CID 16797112
(NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine
CID 126012263
2-(N-ethyl-2-formyl-4-nitroanilino)-N-methylacetamide
CID 61448850
3-bromo-N-[[2-(diethylamino)-5-nitrophenyl]methylideneamino]benzamide
CID 4052966
N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 7551785
2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
CID 43243488
2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide
CID 62508624
2-(dimethylamino)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 47099164
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-hydroxy-5-nitrobenzamide?
The IUPAC name of 2-(diethylamino)-N-hydroxy-5-nitrobenzamide (CID 91678196) is 2-(diethylamino)-N-hydroxy-5-nitrobenzamide.
What is the SMILES notation for 2-(diethylamino)-N-hydroxy-5-nitrobenzamide?
The canonical SMILES for 2-(diethylamino)-N-hydroxy-5-nitrobenzamide is CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NO.
What is the InChIKey of 2-(diethylamino)-N-hydroxy-5-nitrobenzamide?
The InChIKey is UDCBUSRYCYRJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-13(4-2)10-6-5-8(14(17)18)7-9(10)11(15)12-16/h5-7,16H,3-4H2,1-2H3,(H,12,15).
What are the key properties of 2-(diethylamino)-N-hydroxy-5-nitrobenzamide?
2-(diethylamino)-N-hydroxy-5-nitrobenzamide has a molecular weight of 253.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-hydroxy-5-nitrobenzamide is sourced from PubChem (CID 91678196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).