N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide

C28H21N5O5 — CID 10529605

IUPACN-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide
SMILESO=C(N/N=C(\C(=O)N(NC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C28H21N5O5/c34-26(22-16-18-24(19-17-22)33(37)38)30-29-25(20-10-4-1-5-11-20)28(36)32(23-14-8-3-9-15-23)31-27(35)21-12-6-2-7-13-21/h1-19H,(H,30,34)(H,31,35)/b29-25-
InChIKeyKXFPSPISAXUSSC-GNVQSUKOSA-N
MW507.51 g/mol
LogP4.11
Rot. Bonds7

About N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide

N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide (PubChem CID 10529605) has the molecular formula C28H21N5O5 and a molecular weight of 507.51 g/mol. Its IUPAC name is N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide
PubChem CID10529605
Molecular FormulaC28H21N5O5
Molecular Weight507.51 g/mol
Exact Mass507.15
IUPAC NameN-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide
SMILESO=C(N/N=C(\C(=O)N(NC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C28H21N5O5/c34-26(22-16-18-24(19-17-22)33(37)38)30-29-25(20-10-4-1-5-11-20)28(36)32(23-14-8-3-9-15-23)31-27(35)21-12-6-2-7-13-21/h1-19H,(H,30,34)(H,31,35)/b29-25-
InChIKeyKXFPSPISAXUSSC-GNVQSUKOSA-N
XLogP4.11
TPSA134.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N-(diaminomethylideneamino)-4-nitrobenzamide
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N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide
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N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide
CID 6221857
4-nitro-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
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N-[[amino(nitramido)methylidene]amino]-4-nitrobenzamide
CID 74219905

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide (CID 10529605) is N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide is O=C(N/N=C(\C(=O)N(NC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide?
The InChIKey is KXFPSPISAXUSSC-GNVQSUKOSA-N. The full InChI is InChI=1S/C28H21N5O5/c34-26(22-16-18-24(19-17-22)33(37)38)30-29-25(20-10-4-1-5-11-20)28(36)32(23-14-8-3-9-15-23)31-27(35)21-12-6-2-7-13-21/h1-19H,(H,30,34)(H,31,35)/b29-25-.
What are the key properties of N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide?
N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide has a molecular weight of 507.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide is sourced from PubChem (CID 10529605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).