N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide

C14H11N3O3 — CID 10061609

IUPACN-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c2c(C#N)ccc(C)c12
InChIInChI=1S/C14H11N3O3/c1-8-3-4-10(7-15)14-12(17(19)20)6-5-11(13(8)14)16-9(2)18/h3-6H,1-2H3,(H,16,18)
InChIKeyKNAQHCVMDSSULA-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.89
Rot. Bonds2

About N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide

N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide (PubChem CID 10061609) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide
PubChem CID10061609
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c2c(C#N)ccc(C)c12
InChIInChI=1S/C14H11N3O3/c1-8-3-4-10(7-15)14-12(17(19)20)6-5-11(13(8)14)16-9(2)18/h3-6H,1-2H3,(H,16,18)
InChIKeyKNAQHCVMDSSULA-UHFFFAOYSA-N
XLogP2.89
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
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-(5-cyano-4-nitronaphthalen-1-yl)acetamide
CID 10264330
5-chloro-4-methyl-8-nitronaphthalene-1-carbonitrile
CID 10014828
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
2-acetyl-3-methyl-6-nitrobenzonitrile
CID 170995724
N-(8-acetamido-4,5-dinitro-9,10-dioxoanthracen-1-yl)acetamide
CID 5485377
N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide
CID 139242181
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
N-[4-(2-cyanopropan-2-yl)-2-nitrophenyl]acetamide;ethane
CID 164905537
N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide
CID 67930388
N-[5-[3-(3-acetamido-4-nitrophenoxy)phenoxy]-2-nitrophenyl]acetamide
CID 142761150
N-(4-cyano-2,5-dimethylphenyl)acetamide
CID 10910295
N-[2-(3-cyano-4-nitroanilino)ethyl]acetamide
CID 113324174

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide?
The IUPAC name of N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide (CID 10061609) is N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide?
The canonical SMILES for N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide is CC(=O)Nc1ccc([N+](=O)[O-])c2c(C#N)ccc(C)c12.
What is the InChIKey of N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide?
The InChIKey is KNAQHCVMDSSULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-8-3-4-10(7-15)14-12(17(19)20)6-5-11(13(8)14)16-9(2)18/h3-6H,1-2H3,(H,16,18).
What are the key properties of N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide?
N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide has a molecular weight of 269.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide is sourced from PubChem (CID 10061609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).