N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide

C17H17N3O4 — CID 51161641

IUPACN-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C17H17N3O4/c1-12-7-8-14(20(23)24)10-15(12)19-17(22)11-18-16(21)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyQYILSTUGQKVBQM-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide

N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide (PubChem CID 51161641) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
PubChem CID51161641
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C17H17N3O4/c1-12-7-8-14(20(23)24)10-15(12)19-17(22)11-18-16(21)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyQYILSTUGQKVBQM-UHFFFAOYSA-N
XLogP2.20
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.20
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

2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 42070489
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 126166382
N,4-dimethyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 43073786
2-(4-nitrophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26714074
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468231
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17178933
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
2-benzylsulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 23858683
N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126245131

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide (CID 51161641) is N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is QYILSTUGQKVBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-12-7-8-14(20(23)24)10-15(12)19-17(22)11-18-16(21)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide?
N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 327.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 51161641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).