N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide

C15H15FN2O3 — CID 142129643

IUPACN-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1ccc([N+](=O)[O-])c2c(F)cccc12
InChIInChI=1S/C15H15FN2O3/c1-9(2)15(19)17(3)12-7-8-13(18(20)21)14-10(12)5-4-6-11(14)16/h4-9H,1-3H3
InChIKeyWMSZWUFOALWDPB-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.51
Rot. Bonds3

About N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide

N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide (PubChem CID 142129643) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide
PubChem CID142129643
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1ccc([N+](=O)[O-])c2c(F)cccc12
InChIInChI=1S/C15H15FN2O3/c1-9(2)15(19)17(3)12-7-8-13(18(20)21)14-10(12)5-4-6-11(14)16/h4-9H,1-3H3
InChIKeyWMSZWUFOALWDPB-UHFFFAOYSA-N
XLogP3.51
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
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-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 12896998
N,2-difluoro-N-methyl-6-nitroaniline
CID 174676085
(2-fluoro-6-nitrophenyl) methyl carbonate
CID 67247258
1,5,9-trinitrotriphenylene
CID 86227277
(4S,7R)-2-(5-fluoro-4-nitronaphthalen-1-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
CID 91039613
N-butan-2-yl-N-ethyl-3-fluoro-2-nitroaniline
CID 62663637
dimethyl 2-(2-fluoro-6-nitrophenyl)propanedioate
CID 24824335
N-ethyl-3-fluoro-N-(2-methylbutyl)-4-nitrobenzamide
CID 79482385
tert-butyl N-(2-fluoro-6-nitrophenyl)-N-methylcarbamate
CID 171544361
1-(2-fluoro-6-nitrophenyl)ethanamine
CID 55282277
N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide
CID 134413313
4-[(2-fluoro-6-nitrophenyl)methyl-methylamino]butan-2-ol
CID 111488546

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide?
The IUPAC name of N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide (CID 142129643) is N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide is CC(C)C(=O)N(C)c1ccc([N+](=O)[O-])c2c(F)cccc12.
What is the InChIKey of N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide?
The InChIKey is WMSZWUFOALWDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9(2)15(19)17(3)12-7-8-13(18(20)21)14-10(12)5-4-6-11(14)16/h4-9H,1-3H3.
What are the key properties of N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide?
N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide has a molecular weight of 290.29 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 142129643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).