N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide

C13H9ClN2O4 — CID 64786319

IUPACN-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClN2O4/c14-10-6-5-8(7-12(10)17)15-13(18)9-3-1-2-4-11(9)16(19)20/h1-7,17H,(H,15,18)
InChIKeyPYJWPFWATXIABU-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.21
Rot. Bonds3

About N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide

N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide (PubChem CID 64786319) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
PubChem CID64786319
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC NameN-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClN2O4/c14-10-6-5-8(7-12(10)17)15-13(18)9-3-1-2-4-11(9)16(19)20/h1-7,17H,(H,15,18)
InChIKeyPYJWPFWATXIABU-UHFFFAOYSA-N
XLogP3.21
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 53.21
H-Bond Donors ≤ 52
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

2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide
CID 895181
2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
CID 54714318
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide
CID 64786524
2-nitro-N-[8-[(2-nitrobenzoyl)amino]-5,5-dioxodibenzothiophen-2-yl]benzamide
CID 2179848
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
CID 82829516
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide (CID 64786319) is N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide is O=C(Nc1ccc(Cl)c(O)c1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide?
The InChIKey is PYJWPFWATXIABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-10-6-5-8(7-12(10)17)15-13(18)9-3-1-2-4-11(9)16(19)20/h1-7,17H,(H,15,18).
What are the key properties of N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide?
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide has a molecular weight of 292.68 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide is sourced from PubChem (CID 64786319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).