N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide

C14H11ClN2O5 — CID 10064754

IUPACN-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide
SMILESCOc1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C14H11ClN2O5/c1-22-8-5-6-10(15)11(7-8)16-14(19)9-3-2-4-12(13(9)18)17(20)21/h2-7,18H,1H3,(H,16,19)
InChIKeyIWDHVHNNXBHUEG-UHFFFAOYSA-N
MW322.70 g/mol
LogP3.21
Rot. Bonds4

About N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide

N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide (PubChem CID 10064754) has the molecular formula C14H11ClN2O5 and a molecular weight of 322.70 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide
PubChem CID10064754
Molecular FormulaC14H11ClN2O5
Molecular Weight322.70 g/mol
Exact Mass322.04
IUPAC NameN-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide
SMILESCOc1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C14H11ClN2O5/c1-22-8-5-6-10(15)11(7-8)16-14(19)9-3-2-4-12(13(9)18)17(20)21/h2-7,18H,1H3,(H,16,19)
InChIKeyIWDHVHNNXBHUEG-UHFFFAOYSA-N
XLogP3.21
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 53.21
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

2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
CID 165355321
N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 103875003
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide
CID 2558490
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide
CID 103875064
N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107613195
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide
CID 895181

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide (CID 10064754) is N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide is COc1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2O)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide?
The InChIKey is IWDHVHNNXBHUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O5/c1-22-8-5-6-10(15)11(7-8)16-14(19)9-3-2-4-12(13(9)18)17(20)21/h2-7,18H,1H3,(H,16,19).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide?
N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide has a molecular weight of 322.70 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 10064754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).