N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide

C14H9N3O4 — CID 102740776

IUPACN-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide
SMILESN#Cc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H9N3O4/c15-8-9-2-1-3-10(6-9)16-14(19)12-7-11(18)4-5-13(12)17(20)21/h1-7,18H,(H,16,19)
InChIKeyODVCMXILKGKKLJ-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.42
Rot. Bonds3

About N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide

N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide (PubChem CID 102740776) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide
PubChem CID102740776
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC NameN-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide
SMILESN#Cc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H9N3O4/c15-8-9-2-1-3-10(6-9)16-14(19)12-7-11(18)4-5-13(12)17(20)21/h1-7,18H,(H,16,19)
InChIKeyODVCMXILKGKKLJ-UHFFFAOYSA-N
XLogP2.42
TPSA116.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
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

N-(3-ethynylphenyl)-5-hydroxy-2-nitrobenzamide
CID 102740276
N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide
CID 65461418
N-(3-cyanophenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27872899
5-hydroxy-N-(4-methylsulfanylphenyl)-2-nitrobenzamide
CID 102740539
5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107588882
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide
CID 102740891
3-bromo-N-(3-cyanophenyl)-5-nitrobenzamide
CID 81494856
N-(3-cyanophenyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 26727779
N-(4,6-dimethylpyrimidin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 102740712
N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide
CID 141459073
N-(3-cyanophenyl)-2-hydrazinylbenzamide
CID 62248854

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide?
The IUPAC name of N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide (CID 102740776) is N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide?
The canonical SMILES for N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide is N#Cc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1.
What is the InChIKey of N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide?
The InChIKey is ODVCMXILKGKKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c15-8-9-2-1-3-10(6-9)16-14(19)12-7-11(18)4-5-13(12)17(20)21/h1-7,18H,(H,16,19).
What are the key properties of N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide?
N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide has a molecular weight of 283.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide is sourced from PubChem (CID 102740776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).