N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide

C20H17N3O4 — CID 3256817

IUPACN-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H17N3O4/c1-27-19-12-7-14(13-18(19)23(25)26)20(24)22-17-10-8-16(9-11-17)21-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,24)
InChIKeyHDDCNNCAWIATQF-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.60
Rot. Bonds6

About N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide

N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide (PubChem CID 3256817) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide
PubChem CID3256817
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H17N3O4/c1-27-19-12-7-14(13-18(19)23(25)26)20(24)22-17-10-8-16(9-11-17)21-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,24)
InChIKeyHDDCNNCAWIATQF-UHFFFAOYSA-N
XLogP4.60
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.60
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-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide (CID 3256817) is N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide?
The InChIKey is HDDCNNCAWIATQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-27-19-12-7-14(13-18(19)23(25)26)20(24)22-17-10-8-16(9-11-17)21-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,24).
What are the key properties of N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide?
N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide has a molecular weight of 363.37 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 3256817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).