N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide

C20H17FN2O4 — CID 60528261

IUPACN-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide
SMILESO=C(CCCOc1cccc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C20H17FN2O4/c21-17-11-10-15(23(25)26)13-18(17)22-20(24)9-4-12-27-19-8-3-6-14-5-1-2-7-16(14)19/h1-3,5-8,10-11,13H,4,9,12H2,(H,22,24)
InChIKeyOHOPPZFKPSQKLM-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.68
Rot. Bonds7

About N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide

N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide (PubChem CID 60528261) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide
PubChem CID60528261
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC NameN-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide
SMILESO=C(CCCOc1cccc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C20H17FN2O4/c21-17-11-10-15(23(25)26)13-18(17)22-20(24)9-4-12-27-19-8-3-6-14-5-1-2-7-16(14)19/h1-3,5-8,10-11,13H,4,9,12H2,(H,22,24)
InChIKeyOHOPPZFKPSQKLM-UHFFFAOYSA-N
XLogP4.68
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
3-(2,6-dimethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 52696119
N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide
CID 1121904
N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181026
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 2954646
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842444
N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
CID 38741242
N-(5-nitro-2-propoxyphenyl)decanamide
CID 23276615
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583307
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409
N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
CID 4043303

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide (CID 60528261) is N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide is O=C(CCCOc1cccc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide?
The InChIKey is OHOPPZFKPSQKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c21-17-11-10-15(23(25)26)13-18(17)22-20(24)9-4-12-27-19-8-3-6-14-5-1-2-7-16(14)19/h1-3,5-8,10-11,13H,4,9,12H2,(H,22,24).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide?
N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide has a molecular weight of 368.36 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 60528261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).