2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide

C13H14N2O4 — CID 103800385

IUPAC2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H14N2O4/c1-3-8-14(9-4-2)13(17)10-6-5-7-11(12(10)16)15(18)19/h3-7,16H,1-2,8-9H2
InChIKeyDMLLQRTXXSGKJA-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.11
Rot. Bonds6

About 2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide

2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide (PubChem CID 103800385) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide
PubChem CID103800385
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H14N2O4/c1-3-8-14(9-4-2)13(17)10-6-5-7-11(12(10)16)15(18)19/h3-7,16H,1-2,8-9H2
InChIKeyDMLLQRTXXSGKJA-UHFFFAOYSA-N
XLogP2.11
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 103799970
N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide
CID 107399084
2-nitro-N-phenyl-N-prop-2-enylbenzamide
CID 11482940
N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide
CID 103820481
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
2-hydroxy-3-nitro-N-pent-4-en-2-ylbenzamide
CID 103800269
ethyl 2-[(2-hydroxy-3-nitrobenzoyl)-methylamino]acetate
CID 103746415
2-bromo-3-nitro-N-propan-2-yl-N-prop-2-enylbenzamide
CID 113367106
2-chloro-5-nitro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 103730747
N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)-3-nitrobenzamide
CID 103800309
2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 103799855

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide (CID 103800385) is 2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is DMLLQRTXXSGKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-8-14(9-4-2)13(17)10-6-5-7-11(12(10)16)15(18)19/h3-7,16H,1-2,8-9H2.
What are the key properties of 2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide?
2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 262.27 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 103800385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).