2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide

C14H12N2O5 — CID 10968180

IUPAC2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
SMILESCOc1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H12N2O5/c1-21-11-6-7-13(17)12(8-11)14(18)15-9-2-4-10(5-3-9)16(19)20/h2-8,17H,1H3,(H,15,18)
InChIKeyKMNSLLGUNHLNMN-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.56
Rot. Bonds4

About 2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide

2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide (PubChem CID 10968180) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
PubChem CID10968180
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
SMILESCOc1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H12N2O5/c1-21-11-6-7-13(17)12(8-11)14(18)15-9-2-4-10(5-3-9)16(19)20/h2-8,17H,1H3,(H,15,18)
InChIKeyKMNSLLGUNHLNMN-UHFFFAOYSA-N
XLogP2.56
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.56
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

5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide
CID 106912375
N-(4-ethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60716192
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 60619486
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
CID 18931505
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
CID 165355321

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide?
The IUPAC name of 2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide (CID 10968180) is 2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide is COc1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide?
The InChIKey is KMNSLLGUNHLNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-21-11-6-7-13(17)12(8-11)14(18)15-9-2-4-10(5-3-9)16(19)20/h2-8,17H,1H3,(H,15,18).
What are the key properties of 2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide?
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide has a molecular weight of 288.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 10968180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).