N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C21H19N3O4 — CID 29347080

IUPACN-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCN(C(=O)COc1cccnc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19N3O4/c1-23(19(25)15-28-18-13-8-14-22-21(18)24(26)27)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,20H,15H2,1H3
InChIKeyLXHFPWMJZOCFEB-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.62
Rot. Bonds7

About N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 29347080) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID29347080
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCN(C(=O)COc1cccnc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19N3O4/c1-23(19(25)15-28-18-13-8-14-22-21(18)24(26)27)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,20H,15H2,1H3
InChIKeyLXHFPWMJZOCFEB-UHFFFAOYSA-N
XLogP3.62
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
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-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide
CID 112781539
2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide
CID 52890111
N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 29312739
N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide
CID 8649325
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8649361
1-(4-benzhydrylpiperazin-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
CID 27027721
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
3-(3-bromo-2-phenylpropoxy)-2-nitropyridine
CID 65015898
3-methoxy-2-nitropyridine
CID 556063
2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 3493079
(2-nitro-3-pyridinyl)oxymethyl 3-methylbutanoate
CID 126825968

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 29347080) is N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide is CN(C(=O)COc1cccnc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is LXHFPWMJZOCFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-23(19(25)15-28-18-13-8-14-22-21(18)24(26)27)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,20H,15H2,1H3.
What are the key properties of N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 377.40 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 29347080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).