4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide

C22H21N3O4 — CID 27826692

IUPAC4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide
SMILESCOCCNc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H21N3O4/c1-29-14-13-23-20-12-11-17(15-21(20)25(27)28)22(26)24-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-12,15,23H,13-14H2,1H3,(H,24,26)
InChIKeyOJNLWFSIAJASJF-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.57
Rot. Bonds8

About 4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide

4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide (PubChem CID 27826692) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide
PubChem CID27826692
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide
SMILESCOCCNc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H21N3O4/c1-29-14-13-23-20-12-11-17(15-21(20)25(27)28)22(26)24-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-12,15,23H,13-14H2,1H3,(H,24,26)
InChIKeyOJNLWFSIAJASJF-UHFFFAOYSA-N
XLogP4.57
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 9399328
N-(4-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27825616
N-(3-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826592
N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 55957393
N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 26721757
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 55538481
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55919689
N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826267
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 42236853
4-(benzylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 35864190

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide?
The IUPAC name of 4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide (CID 27826692) is 4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide is COCCNc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide?
The InChIKey is OJNLWFSIAJASJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-29-14-13-23-20-12-11-17(15-21(20)25(27)28)22(26)24-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-12,15,23H,13-14H2,1H3,(H,24,26).
What are the key properties of 4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide?
4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide has a molecular weight of 391.43 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 27826692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).