4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide

C19H15N3O4 — CID 40662450

IUPAC4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(COc2cccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O4/c23-19(21-16-5-2-1-3-6-16)15-10-8-14(9-11-15)13-26-17-7-4-12-20-18(17)22(24)25/h1-12H,13H2,(H,21,23)
InChIKeyKHNHZSLAZZHWSQ-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.82
Rot. Bonds6

About 4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide

4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide (PubChem CID 40662450) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide
PubChem CID40662450
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(COc2cccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O4/c23-19(21-16-5-2-1-3-6-16)15-10-8-14(9-11-15)13-26-17-7-4-12-20-18(17)22(24)25/h1-12H,13H2,(H,21,23)
InChIKeyKHNHZSLAZZHWSQ-UHFFFAOYSA-N
XLogP3.82
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
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

4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide
CID 27351276
[4-(phenylcarbamoyl)phenyl]methyl nitrate
CID 56659561
4-[(5-methyl-2-nitrophenoxy)methyl]-N-phenylbenzamide
CID 42018969
4-[(2-formyl-4-nitrophenoxy)methyl]-N-phenylbenzamide
CID 8534889
N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
CID 16959110
N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide
CID 16959114
2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine
CID 60526552
4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide
CID 4617873
4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide
CID 112787692
4-fluoro-3-[(2-nitro-3-pyridinyl)oxymethyl]benzoic acid
CID 107451989
N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
CID 8651047
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226

Frequently Asked Questions

What is the IUPAC name of 4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide?
The IUPAC name of 4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide (CID 40662450) is 4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(COc2cccnc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide?
The InChIKey is KHNHZSLAZZHWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-19(21-16-5-2-1-3-6-16)15-10-8-14(9-11-15)13-26-17-7-4-12-20-18(17)22(24)25/h1-12H,13H2,(H,21,23).
What are the key properties of 4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide?
4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide has a molecular weight of 349.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide is sourced from PubChem (CID 40662450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).