N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide

C16H17N3O3 — CID 9082075

IUPACN-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C16H17N3O3/c1-11-3-8-15(12(2)9-11)18-16(20)10-17-13-4-6-14(7-5-13)19(21)22/h3-9,17H,10H2,1-2H3,(H,18,20)
InChIKeyRMGDUMADWIFZFK-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.26
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide

N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide (PubChem CID 9082075) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
PubChem CID9082075
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C16H17N3O3/c1-11-3-8-15(12(2)9-11)18-16(20)10-17-13-4-6-14(7-5-13)19(21)22/h3-9,17H,10H2,1-2H3,(H,18,20)
InChIKeyRMGDUMADWIFZFK-UHFFFAOYSA-N
XLogP3.26
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.26
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-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide
CID 7636771
2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 86930971
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830530
N-(2-methylbutan-2-yl)-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 55918061
2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide
CID 9106237
N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
CID 3505980
ethyl (E)-3-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]prop-2-enoate
CID 55470256
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288
N-(4-chloro-2-methylphenyl)-4-(4-nitroanilino)butanamide
CID 36664825
N-(2-bromophenyl)-2-(4-nitroanilino)acetamide
CID 4780880

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide (CID 9082075) is N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide is Cc1ccc(NC(=O)CNc2ccc([N+](=O)[O-])cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide?
The InChIKey is RMGDUMADWIFZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-3-8-15(12(2)9-11)18-16(20)10-17-13-4-6-14(7-5-13)19(21)22/h3-9,17H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide?
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide has a molecular weight of 299.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide is sourced from PubChem (CID 9082075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).