N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide

C16H14F2N2O4 — CID 7503595

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O4/c1-10(12-7-6-11(17)8-13(12)18)19-16(21)9-24-15-5-3-2-4-14(15)20(22)23/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyAASARMZOEOKPIL-JTQLQIEISA-N
MW336.29 g/mol
LogP3.13
Rot. Bonds6

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 7503595) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
PubChem CID7503595
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O4/c1-10(12-7-6-11(17)8-13(12)18)19-16(21)9-24-15-5-3-2-4-14(15)20(22)23/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyAASARMZOEOKPIL-JTQLQIEISA-N
XLogP3.13
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 53.13
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'}

Analyze N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 17425695
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500589
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500586
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7719046
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
N-(4-hydroxybutan-2-yl)-2-(2-nitrophenoxy)acetamide
CID 115283580
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 7781463
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846282
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-nitrophenoxy)acetamide
CID 55857646
2-(5-fluoro-2-nitrophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 78484094
2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7438328
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide (CID 7503595) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide is C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is AASARMZOEOKPIL-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14F2N2O4/c1-10(12-7-6-11(17)8-13(12)18)19-16(21)9-24-15-5-3-2-4-14(15)20(22)23/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 336.29 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 7503595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).