N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide

C21H17N3O5 — CID 3548121

IUPACN-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C21H17N3O5/c1-29-17-9-5-7-15(13-17)22-21(26)18-10-2-3-11-19(18)23-20(25)14-6-4-8-16(12-14)24(27)28/h2-13H,1H3,(H,22,26)(H,23,25)
InChIKeySBKMCZQDEYRSQO-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.11
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide

N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide (PubChem CID 3548121) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
PubChem CID3548121
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC NameN-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C21H17N3O5/c1-29-17-9-5-7-15(13-17)22-21(26)18-10-2-3-11-19(18)23-20(25)14-6-4-8-16(12-14)24(27)28/h2-13H,1H3,(H,22,26)(H,23,25)
InChIKeySBKMCZQDEYRSQO-UHFFFAOYSA-N
XLogP4.11
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.11
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

2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 4944387
2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide
CID 1313628
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 55630453
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
methyl 3-[(3-methoxyphenyl)carbamoyl]-5-nitrobenzoate
CID 743798
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide
CID 51092432
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide
CID 55754649

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide (CID 3548121) is N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide is COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide?
The InChIKey is SBKMCZQDEYRSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-29-17-9-5-7-15(13-17)22-21(26)18-10-2-3-11-19(18)23-20(25)14-6-4-8-16(12-14)24(27)28/h2-13H,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide?
N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide has a molecular weight of 391.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 3548121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).