2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide

C21H17ClN4O4 — CID 36769210

IUPAC2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1ccccn1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C21H17ClN4O4/c22-18-13-15(26(29)30)8-9-16(18)21(28)25-19-7-2-1-6-17(19)20(27)24-12-10-14-5-3-4-11-23-14/h1-9,11,13H,10,12H2,(H,24,27)(H,25,28)
InChIKeyJGSRLYVSIIREKU-UHFFFAOYSA-N
MW424.84 g/mol
LogP3.87
Rot. Bonds7

About 2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide

2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide (PubChem CID 36769210) has the molecular formula C21H17ClN4O4 and a molecular weight of 424.84 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide
PubChem CID36769210
Molecular FormulaC21H17ClN4O4
Molecular Weight424.84 g/mol
Exact Mass424.09
IUPAC Name2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1ccccn1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C21H17ClN4O4/c22-18-13-15(26(29)30)8-9-16(18)21(28)25-19-7-2-1-6-17(19)20(27)24-12-10-14-5-3-4-11-23-14/h1-9,11,13H,10,12H2,(H,24,27)(H,25,28)
InChIKeyJGSRLYVSIIREKU-UHFFFAOYSA-N
XLogP3.87
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 53.87
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

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CID 8750879
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CID 26549686
2-chloro-N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]-4-nitrobenzamide
CID 29239537
N-(2-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 8749599
2-chloro-N-[2-[3-(N-methylanilino)propylcarbamoyl]phenyl]-4-nitrobenzamide
CID 29239514
2-[(2-chlorophenyl)carbamothioylamino]-N-(2-pyridin-2-ylethyl)benzamide
CID 134116682
2-chloro-4-nitro-N-[2-(3-phenylprop-2-ynylcarbamoyl)phenyl]benzamide
CID 24675881
2-chloro-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 9282895
2-chloro-3-nitro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
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2-chloro-4-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 29239510
2-chloro-N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-4-nitrobenzamide
CID 30898786
2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrobenzamide
CID 38163378

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide (CID 36769210) is 2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)NCCc1ccccn1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide?
The InChIKey is JGSRLYVSIIREKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O4/c22-18-13-15(26(29)30)8-9-16(18)21(28)25-19-7-2-1-6-17(19)20(27)24-12-10-14-5-3-4-11-23-14/h1-9,11,13H,10,12H2,(H,24,27)(H,25,28).
What are the key properties of 2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide?
2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide has a molecular weight of 424.84 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 36769210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).