3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide

C13H8Cl2N2O4 — CID 3271615

IUPAC3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H8Cl2N2O4/c14-7-5-10(12(18)11(15)6-7)13(19)16-8-1-3-9(4-2-8)17(20)21/h1-6,18H,(H,16,19)
InChIKeyVRALVBRCALAKME-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.86
Rot. Bonds3

About 3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide

3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide (PubChem CID 3271615) has the molecular formula C13H8Cl2N2O4 and a molecular weight of 327.12 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide
PubChem CID3271615
Molecular FormulaC13H8Cl2N2O4
Molecular Weight327.12 g/mol
Exact Mass325.99
IUPAC Name3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H8Cl2N2O4/c14-7-5-10(12(18)11(15)6-7)13(19)16-8-1-3-9(4-2-8)17(20)21/h1-6,18H,(H,16,19)
InChIKeyVRALVBRCALAKME-UHFFFAOYSA-N
XLogP3.86
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.86
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

3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide
CID 57352159
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
CID 18931505
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2,3-dichloro-N-(4-nitrophenyl)benzamide
CID 2896612
2-chloro-5-methylsulfonyl-N-(4-nitrophenyl)benzamide
CID 39753595
3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid
CID 11291166
2-chloro-5-[(4-nitrobenzoyl)amino]benzoate
CID 7473349
3,4,5-trihydroxy-N-(4-nitrophenyl)benzamide
CID 10541486
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide
CID 62152532

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide (CID 3271615) is 3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide?
The InChIKey is VRALVBRCALAKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O4/c14-7-5-10(12(18)11(15)6-7)13(19)16-8-1-3-9(4-2-8)17(20)21/h1-6,18H,(H,16,19).
What are the key properties of 3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide?
3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide has a molecular weight of 327.12 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 3271615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).