N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide

C16H14ClFN2O4 — CID 7846282

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1cc(F)ccc1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C16H14ClFN2O4/c1-10(11-3-2-4-12(17)7-11)19-16(21)9-24-15-8-13(18)5-6-14(15)20(22)23/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyALKOJGJESJERMV-JTQLQIEISA-N
MW352.75 g/mol
LogP3.64
Rot. Bonds6

About N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 7846282) has the molecular formula C16H14ClFN2O4 and a molecular weight of 352.75 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID7846282
Molecular FormulaC16H14ClFN2O4
Molecular Weight352.75 g/mol
Exact Mass352.06
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1cc(F)ccc1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C16H14ClFN2O4/c1-10(11-3-2-4-12(17)7-11)19-16(21)9-24-15-8-13(18)5-6-14(15)20(22)23/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyALKOJGJESJERMV-JTQLQIEISA-N
XLogP3.64
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 53.64
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

2-(2-chloro-4-nitrophenoxy)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7509267
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
2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8520569
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832863
2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7991131
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932009
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932010
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 7787848
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 17425695

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 7846282) is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide is C[C@H](NC(=O)COc1cc(F)ccc1[N+](=O)[O-])c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is ALKOJGJESJERMV-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14ClFN2O4/c1-10(11-3-2-4-12(17)7-11)19-16(21)9-24-15-8-13(18)5-6-14(15)20(22)23/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 352.75 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 7846282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).