N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide

C19H13ClN4O4 — CID 68530395

IUPACN-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H13ClN4O4/c20-12-9-10-17(21-11-12)23-18(25)13-5-1-3-7-15(13)22-19(26)14-6-2-4-8-16(14)24(27)28/h1-11H,(H,22,26)(H,21,23,25)
InChIKeyLFEOGAQBSUAQBN-UHFFFAOYSA-N
MW396.79 g/mol
LogP4.15
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide

N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide (PubChem CID 68530395) has the molecular formula C19H13ClN4O4 and a molecular weight of 396.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide
PubChem CID68530395
Molecular FormulaC19H13ClN4O4
Molecular Weight396.79 g/mol
Exact Mass396.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H13ClN4O4/c20-12-9-10-17(21-11-12)23-18(25)13-5-1-3-7-15(13)22-19(26)14-6-2-4-8-16(14)24(27)28/h1-11H,(H,22,26)(H,21,23,25)
InChIKeyLFEOGAQBSUAQBN-UHFFFAOYSA-N
XLogP4.15
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.79
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide (CID 68530395) is N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide is O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide?
The InChIKey is LFEOGAQBSUAQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O4/c20-12-9-10-17(21-11-12)23-18(25)13-5-1-3-7-15(13)22-19(26)14-6-2-4-8-16(14)24(27)28/h1-11H,(H,22,26)(H,21,23,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide has a molecular weight of 396.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(2-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 68530395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).