N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide

C19H16N2O3 — CID 26575746

IUPACN-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide
SMILESCc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O3/c1-13-6-9-17(12-18(13)21(23)24)20-19(22)11-14-7-8-15-4-2-3-5-16(15)10-14/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyOHVVACQXTSUOJE-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.24
Rot. Bonds4

About N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide

N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide (PubChem CID 26575746) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide
PubChem CID26575746
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide
SMILESCc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O3/c1-13-6-9-17(12-18(13)21(23)24)20-19(22)11-14-7-8-15-4-2-3-5-16(15)10-14/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyOHVVACQXTSUOJE-UHFFFAOYSA-N
XLogP4.24
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.24
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

1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea
CID 6611556
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide
CID 16797044
N-(4-methyl-3-nitrophenyl)-2-phenylsulfanylacetamide
CID 2206801
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199
N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36662997
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
N-(4-methyl-3-nitrophenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 31869311
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide
CID 39753327
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 40618321
4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide (CID 26575746) is N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide is Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide?
The InChIKey is OHVVACQXTSUOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-13-6-9-17(12-18(13)21(23)24)20-19(22)11-14-7-8-15-4-2-3-5-16(15)10-14/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide?
N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide has a molecular weight of 320.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 26575746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).