N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide

C21H18N4O5 — CID 8651047

IUPACN-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H18N4O5/c26-19(14-30-18-11-6-12-22-20(18)25(28)29)24-17-10-5-4-9-16(17)21(27)23-13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,23,27)(H,24,26)
InChIKeyRRTCASVSMGYALM-UHFFFAOYSA-N
MW406.40 g/mol
LogP2.94
Rot. Bonds8

About N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide

N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide (PubChem CID 8651047) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
PubChem CID8651047
Molecular FormulaC21H18N4O5
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC NameN-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H18N4O5/c26-19(14-30-18-11-6-12-22-20(18)25(28)29)24-17-10-5-4-9-16(17)21(27)23-13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,23,27)(H,24,26)
InChIKeyRRTCASVSMGYALM-UHFFFAOYSA-N
XLogP2.94
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-benzyl-2-nitropyridine-3-carboxamide
CID 19034724
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6459085
N-benzyl-2-[2-(2-methoxy-4-nitroanilino)-2-oxoethoxy]benzamide
CID 18077087
N-benzyl-2-[2-(2-ethoxyanilino)-2-oxoethoxy]benzamide
CID 7981661
N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 3656947
N-benzyl-2-[2-(3-nitroanilino)-2-oxoethoxy]benzamide
CID 7981684
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 17442660
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8650969
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate
CID 9015181

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide (CID 8651047) is N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide is O=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide?
The InChIKey is RRTCASVSMGYALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5/c26-19(14-30-18-11-6-12-22-20(18)25(28)29)24-17-10-5-4-9-16(17)21(27)23-13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,23,27)(H,24,26).
What are the key properties of N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide?
N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide has a molecular weight of 406.40 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide is sourced from PubChem (CID 8651047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).