N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide

C15H12FN3O6 — CID 38701334

IUPACN-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide
SMILESO=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12FN3O6/c16-13-6-1-10(9-14(13)19(23)24)17-15(20)7-8-25-12-4-2-11(3-5-12)18(21)22/h1-6,9H,7-8H2,(H,17,20)
InChIKeyZUOJKRWUVVXAES-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.05
Rot. Bonds7

About N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide

N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide (PubChem CID 38701334) has the molecular formula C15H12FN3O6 and a molecular weight of 349.27 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide
PubChem CID38701334
Molecular FormulaC15H12FN3O6
Molecular Weight349.27 g/mol
Exact Mass349.07
IUPAC NameN-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide
SMILESO=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12FN3O6/c16-13-6-1-10(9-14(13)19(23)24)17-15(20)7-8-25-12-4-2-11(3-5-12)18(21)22/h1-6,9H,7-8H2,(H,17,20)
InChIKeyZUOJKRWUVVXAES-UHFFFAOYSA-N
XLogP3.05
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide
CID 108790150
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38763807
N-(3-acetamido-4-chlorophenyl)-3-(4-nitrophenoxy)propanamide
CID 86845100
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
N-(4-fluoro-3-nitrophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 49097914
N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807182
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 9076945
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 2508614
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 9404960

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide (CID 38701334) is N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide is O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide?
The InChIKey is ZUOJKRWUVVXAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O6/c16-13-6-1-10(9-14(13)19(23)24)17-15(20)7-8-25-12-4-2-11(3-5-12)18(21)22/h1-6,9H,7-8H2,(H,17,20).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide?
N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide has a molecular weight of 349.27 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 38701334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).