N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide

C19H14ClN3O3 — CID 3500304

IUPACN-(4-anilinophenyl)-4-chloro-2-nitrobenzamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C19H14ClN3O3/c20-13-6-11-17(18(12-13)23(25)26)19(24)22-16-9-7-15(8-10-16)21-14-4-2-1-3-5-14/h1-12,21H,(H,22,24)
InChIKeyZIDUFYIAALHFIT-UHFFFAOYSA-N
MW367.79 g/mol
LogP5.24
Rot. Bonds5

About N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide

N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide (PubChem CID 3500304) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-chloro-2-nitrobenzamide
PubChem CID3500304
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC NameN-(4-anilinophenyl)-4-chloro-2-nitrobenzamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C19H14ClN3O3/c20-13-6-11-17(18(12-13)23(25)26)19(24)22-16-9-7-15(8-10-16)21-14-4-2-1-3-5-14/h1-12,21H,(H,22,24)
InChIKeyZIDUFYIAALHFIT-UHFFFAOYSA-N
XLogP5.24
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.79
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-2-nitrobenzamide?
The IUPAC name of N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide (CID 3500304) is N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide?
The canonical SMILES for N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide is O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide?
The InChIKey is ZIDUFYIAALHFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c20-13-6-11-17(18(12-13)23(25)26)19(24)22-16-9-7-15(8-10-16)21-14-4-2-1-3-5-14/h1-12,21H,(H,22,24).
What are the key properties of N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide?
N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide has a molecular weight of 367.79 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide is sourced from PubChem (CID 3500304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).