2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide

C22H21N3O3 — CID 42070489

IUPAC2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H21N3O3/c1-16-11-12-19(25(27)28)14-21(16)24-22(26)15-23-20-10-6-5-9-18(20)13-17-7-3-2-4-8-17/h2-12,14,23H,13,15H2,1H3,(H,24,26)
InChIKeyWURFJOZNDBQPLB-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.54
Rot. Bonds7

About 2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide

2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 42070489) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID42070489
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H21N3O3/c1-16-11-12-19(25(27)28)14-21(16)24-22(26)15-23-20-10-6-5-9-18(20)13-17-7-3-2-4-8-17/h2-12,14,23H,13,15H2,1H3,(H,24,26)
InChIKeyWURFJOZNDBQPLB-UHFFFAOYSA-N
XLogP4.54
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.54
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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Related Compounds

N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
CID 51161641
N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 9081630
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
N-(2-benzylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 9080869
3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17178933
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 7681615
2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 126187085
2-benzylsulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 23858683
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468231
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
2-(2-methyl-5-nitroanilino)-N-propylacetamide
CID 32894813

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide (CID 42070489) is 2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is WURFJOZNDBQPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-16-11-12-19(25(27)28)14-21(16)24-22(26)15-23-20-10-6-5-9-18(20)13-17-7-3-2-4-8-17/h2-12,14,23H,13,15H2,1H3,(H,24,26).
What are the key properties of 2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 42070489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).