N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide

C16H16N2O3 — CID 4536667

IUPACN-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1C
InChIInChI=1S/C16H16N2O3/c1-11-3-6-14(9-12(11)2)17-16(19)10-13-4-7-15(8-5-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyZTGCOXMKKNNUEN-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.39
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide

N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide (PubChem CID 4536667) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
PubChem CID4536667
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1C
InChIInChI=1S/C16H16N2O3/c1-11-3-6-14(9-12(11)2)17-16(19)10-13-4-7-15(8-5-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyZTGCOXMKKNNUEN-UHFFFAOYSA-N
XLogP3.39
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-bis(3,4-dimethylphenyl)acetamide
CID 2600237
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
CID 42852606
N-(3,4-dimethylphenyl)-2-pyridin-4-ylacetamide
CID 110697303
2-(4-methylsulfanylphenyl)-N-(4-nitrophenyl)acetamide
CID 18586808
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide
CID 9398234
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N-(3,4-dimethylphenyl)-2-[4-methyl-5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
CID 3616522

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide (CID 4536667) is N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide is Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is ZTGCOXMKKNNUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-3-6-14(9-12(11)2)17-16(19)10-13-4-7-15(8-5-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide?
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 4536667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).