N-(2-benzamido-4-nitrophenyl)benzamide

C20H15N3O4 — CID 3655259

IUPACN-(2-benzamido-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15N3O4/c24-19(14-7-3-1-4-8-14)21-17-12-11-16(23(26)27)13-18(17)22-20(25)15-9-5-2-6-10-15/h1-13H,(H,21,24)(H,22,25)
InChIKeyMTUBWAMJLNCCHT-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.10
Rot. Bonds5

About N-(2-benzamido-4-nitrophenyl)benzamide

N-(2-benzamido-4-nitrophenyl)benzamide (PubChem CID 3655259) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-(2-benzamido-4-nitrophenyl)benzamide.

Molecular Properties

Compound NameN-(2-benzamido-4-nitrophenyl)benzamide
PubChem CID3655259
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN-(2-benzamido-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15N3O4/c24-19(14-7-3-1-4-8-14)21-17-12-11-16(23(26)27)13-18(17)22-20(25)15-9-5-2-6-10-15/h1-13H,(H,21,24)(H,22,25)
InChIKeyMTUBWAMJLNCCHT-UHFFFAOYSA-N
XLogP4.10
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.10
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-(2-benzamido-4-nitrophenyl)benzamide?
The IUPAC name of N-(2-benzamido-4-nitrophenyl)benzamide (CID 3655259) is N-(2-benzamido-4-nitrophenyl)benzamide.
What is the SMILES notation for N-(2-benzamido-4-nitrophenyl)benzamide?
The canonical SMILES for N-(2-benzamido-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzamido-4-nitrophenyl)benzamide?
The InChIKey is MTUBWAMJLNCCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c24-19(14-7-3-1-4-8-14)21-17-12-11-16(23(26)27)13-18(17)22-20(25)15-9-5-2-6-10-15/h1-13H,(H,21,24)(H,22,25).
What are the key properties of N-(2-benzamido-4-nitrophenyl)benzamide?
N-(2-benzamido-4-nitrophenyl)benzamide has a molecular weight of 361.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamido-4-nitrophenyl)benzamide is sourced from PubChem (CID 3655259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).