2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide

C19H14N4O4 — CID 1313628

IUPAC2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccncc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H14N4O4/c24-18(13-4-3-5-15(12-13)23(26)27)22-17-7-2-1-6-16(17)19(25)21-14-8-10-20-11-9-14/h1-12H,(H,22,24)(H,20,21,25)
InChIKeyVQZHRVXMOHFLDK-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.49
Rot. Bonds5

About 2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide

2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide (PubChem CID 1313628) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide
PubChem CID1313628
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccncc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H14N4O4/c24-18(13-4-3-5-15(12-13)23(26)27)22-17-7-2-1-6-16(17)19(25)21-14-8-10-20-11-9-14/h1-12H,(H,22,24)(H,20,21,25)
InChIKeyVQZHRVXMOHFLDK-UHFFFAOYSA-N
XLogP3.49
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.49
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

N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 4944387
N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 3548121
2-benzamido-N-pyridin-4-ylbenzamide
CID 730926
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid
CID 63651069
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
CID 3697987
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide (CID 1313628) is 2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide is O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide?
The InChIKey is VQZHRVXMOHFLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c24-18(13-4-3-5-15(12-13)23(26)27)22-17-7-2-1-6-16(17)19(25)21-14-8-10-20-11-9-14/h1-12H,(H,22,24)(H,20,21,25).
What are the key properties of 2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide?
2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide has a molecular weight of 362.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 1313628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).