N,N-diethyl-5-hydroxy-2-nitrobenzamide

C11H14N2O4 — CID 102740327

IUPACN,N-diethyl-5-hydroxy-2-nitrobenzamide
SMILESCCN(CC)C(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-3-12(4-2)11(15)9-7-8(14)5-6-10(9)13(16)17/h5-7,14H,3-4H2,1-2H3
InChIKeyYPTZTBLIPOTDAL-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.78
Rot. Bonds4

About N,N-diethyl-5-hydroxy-2-nitrobenzamide

N,N-diethyl-5-hydroxy-2-nitrobenzamide (PubChem CID 102740327) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N,N-diethyl-5-hydroxy-2-nitrobenzamide.

Molecular Properties

Compound NameN,N-diethyl-5-hydroxy-2-nitrobenzamide
PubChem CID102740327
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN,N-diethyl-5-hydroxy-2-nitrobenzamide
SMILESCCN(CC)C(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-3-12(4-2)11(15)9-7-8(14)5-6-10(9)13(16)17/h5-7,14H,3-4H2,1-2H3
InChIKeyYPTZTBLIPOTDAL-UHFFFAOYSA-N
XLogP1.78
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methyl 2-[(5-hydroxy-2-nitrobenzoyl)-propylamino]acetate
CID 102741632
5-hydroxy-N-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide
CID 102741853
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
CID 102740736
5-hydroxy-N-(2-methylbutyl)-2-nitrobenzamide
CID 102741753
5-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-nitrobenzamide
CID 107076447
N,N-diethyl-2-hydroxy-5-methyl-3-nitrobenzamide
CID 14980172
N,N-diethylethanamine;3,4-dinitrophenol
CID 71360717
5-amino-N-(cyclopropylmethyl)-N-ethyl-2-nitrobenzamide
CID 63939918
N-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
5-hydroxy-2-nitro-N-propan-2-yl-N-prop-2-enylbenzamide
CID 107076321
3-[ethyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 61006784
5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
CID 102741846

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-hydroxy-2-nitrobenzamide?
The IUPAC name of N,N-diethyl-5-hydroxy-2-nitrobenzamide (CID 102740327) is N,N-diethyl-5-hydroxy-2-nitrobenzamide.
What is the SMILES notation for N,N-diethyl-5-hydroxy-2-nitrobenzamide?
The canonical SMILES for N,N-diethyl-5-hydroxy-2-nitrobenzamide is CCN(CC)C(=O)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of N,N-diethyl-5-hydroxy-2-nitrobenzamide?
The InChIKey is YPTZTBLIPOTDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-12(4-2)11(15)9-7-8(14)5-6-10(9)13(16)17/h5-7,14H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-hydroxy-2-nitrobenzamide?
N,N-diethyl-5-hydroxy-2-nitrobenzamide has a molecular weight of 238.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-hydroxy-2-nitrobenzamide is sourced from PubChem (CID 102740327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).