N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide

C21H18N2O5 — CID 71595967

IUPACN-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H18N2O5/c1-28-19-9-5-3-7-17(19)21(25)22-18-8-4-2-6-16(18)20(24)14-10-12-15(13-11-14)23(26)27/h2-13,20,24H,1H3,(H,22,25)
InChIKeyMOMHHYGJPPGLDO-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.94
Rot. Bonds6

About N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide

N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide (PubChem CID 71595967) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide
PubChem CID71595967
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H18N2O5/c1-28-19-9-5-3-7-17(19)21(25)22-18-8-4-2-6-16(18)20(24)14-10-12-15(13-11-14)23(26)27/h2-13,20,24H,1H3,(H,22,25)
InChIKeyMOMHHYGJPPGLDO-UHFFFAOYSA-N
XLogP3.94
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.94
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

methyl 4-[hydroxy-[2-[(2-methoxybenzoyl)amino]phenyl]methyl]benzoate
CID 71596281
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methoxybenzamide
CID 2382187
N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 1317590
2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2965786
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 1371919
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
2-(2-methoxyphenoxy)-N-(2-nitrophenyl)benzamide
CID 38114692
3-hydroxy-4-(2-methoxyanilino)-4-(4-nitrophenyl)butan-2-one
CID 102188855
[4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate
CID 26190244
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126001886

Frequently Asked Questions

What is the IUPAC name of N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide (CID 71595967) is N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccccc1C(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide?
The InChIKey is MOMHHYGJPPGLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-28-19-9-5-3-7-17(19)21(25)22-18-8-4-2-6-16(18)20(24)14-10-12-15(13-11-14)23(26)27/h2-13,20,24H,1H3,(H,22,25).
What are the key properties of N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide?
N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide has a molecular weight of 378.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 71595967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).