4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide

C21H17N3O5 — CID 1378052

IUPAC4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H17N3O5/c1-29-19-12-9-15(21(26)22-16-5-3-2-4-6-16)13-18(19)23-20(25)14-7-10-17(11-8-14)24(27)28/h2-13H,1H3,(H,22,26)(H,23,25)
InChIKeyCYCYXQWOYFRCKV-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.11
Rot. Bonds6

About 4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide

4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide (PubChem CID 1378052) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is 4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide
PubChem CID1378052
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H17N3O5/c1-29-19-12-9-15(21(26)22-16-5-3-2-4-6-16)13-18(19)23-20(25)14-7-10-17(11-8-14)24(27)28/h2-13H,1H3,(H,22,26)(H,23,25)
InChIKeyCYCYXQWOYFRCKV-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide?
The IUPAC name of 4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide (CID 1378052) is 4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide.
What is the SMILES notation for 4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide?
The canonical SMILES for 4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide is COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide?
The InChIKey is CYCYXQWOYFRCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-29-19-12-9-15(21(26)22-16-5-3-2-4-6-16)13-18(19)23-20(25)14-7-10-17(11-8-14)24(27)28/h2-13H,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide?
4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide 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 4-methoxy-3-[(4-nitrobenzoyl)amino]-N-phenylbenzamide is sourced from PubChem (CID 1378052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).