2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide

C19H21FN2O4 — CID 8520569

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@@H](NC(=O)COc1cc(F)ccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C19H21FN2O4/c1-13(2)10-16(14-6-4-3-5-7-14)21-19(23)12-26-18-11-15(20)8-9-17(18)22(24)25/h3-9,11,13,16H,10,12H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyYXGTWEQUXCKIHW-MRXNPFEDSA-N
MW360.39 g/mol
LogP4.02
Rot. Bonds8

About 2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide

2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide (PubChem CID 8520569) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
PubChem CID8520569
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@@H](NC(=O)COc1cc(F)ccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C19H21FN2O4/c1-13(2)10-16(14-6-4-3-5-7-14)21-19(23)12-26-18-11-15(20)8-9-17(18)22(24)25/h3-9,11,13,16H,10,12H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyYXGTWEQUXCKIHW-MRXNPFEDSA-N
XLogP4.02
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.02
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-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
CID 112772148
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846282
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838
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
N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 29469200
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 8515326
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 17425695
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7503595
2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide
CID 26814603
N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 78289991
2-(5-fluoro-2-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 2690910

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide (CID 8520569) is 2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide is CC(C)C[C@@H](NC(=O)COc1cc(F)ccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The InChIKey is YXGTWEQUXCKIHW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13(2)10-16(14-6-4-3-5-7-14)21-19(23)12-26-18-11-15(20)8-9-17(18)22(24)25/h3-9,11,13,16H,10,12H2,1-2H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide is sourced from PubChem (CID 8520569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).