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

C13H9ClN2O4 — CID 64786524

IUPACN-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H9ClN2O4/c14-11-5-4-9(7-12(11)17)15-13(18)8-2-1-3-10(6-8)16(19)20/h1-7,17H,(H,15,18)
InChIKeyYNIUWLLTHPMWFS-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.21
Rot. Bonds3

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

N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide (PubChem CID 64786524) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide
PubChem CID64786524
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC NameN-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H9ClN2O4/c14-11-5-4-9(7-12(11)17)15-13(18)8-2-1-3-10(6-8)16(19)20/h1-7,17H,(H,15,18)
InChIKeyYNIUWLLTHPMWFS-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

N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406
3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 3863053
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
CID 28671192
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide (CID 64786524) is N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide is O=C(Nc1ccc(Cl)c(O)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide?
The InChIKey is YNIUWLLTHPMWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-11-5-4-9(7-12(11)17)15-13(18)8-2-1-3-10(6-8)16(19)20/h1-7,17H,(H,15,18).
What are the key properties of N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide?
N-(4-chloro-3-hydroxyphenyl)-3-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)-3-nitrobenzamide is sourced from PubChem (CID 64786524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).