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

C13H9ClN2O4 — CID 4636309

IUPACN-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9ClN2O4/c14-11-7-9(3-6-12(11)17)15-13(18)8-1-4-10(5-2-8)16(19)20/h1-7,17H,(H,15,18)
InChIKeyFVKOUYJEAYDGQH-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.21
Rot. Bonds3

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

N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide (PubChem CID 4636309) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
PubChem CID4636309
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9ClN2O4/c14-11-7-9(3-6-12(11)17)15-13(18)8-1-4-10(5-2-8)16(19)20/h1-7,17H,(H,15,18)
InChIKeyFVKOUYJEAYDGQH-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': 'hydroquinone', '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

2-chloro-5-[(4-nitrobenzoyl)amino]benzoate
CID 7473349
N-(3-chloro-4-hydroxyphenyl)-2-fluoro-4-nitrobenzamide
CID 63948000
N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide
CID 63936506
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
CID 7478754
3,4,5-trihydroxy-N-(4-nitrophenyl)benzamide
CID 10541486
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-9,10-dioxoanthracen-2-yl]benzamide
CID 5207304
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzenesulfonamide
CID 3397659

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide (CID 4636309) is N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide is O=C(Nc1ccc(O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide?
The InChIKey is FVKOUYJEAYDGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-11-7-9(3-6-12(11)17)15-13(18)8-1-4-10(5-2-8)16(19)20/h1-7,17H,(H,15,18).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide?
N-(3-chloro-4-hydroxyphenyl)-4-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-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide is sourced from PubChem (CID 4636309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).