N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide

C17H15FN2O4 — CID 95179512

IUPACN-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H]1c1cccc(F)c1
InChIInChI=1S/C17H15FN2O4/c18-12-4-1-3-11(7-12)15-9-16(15)19-17(21)10-24-14-6-2-5-13(8-14)20(22)23/h1-8,15-16H,9-10H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyFGFXIPMBRDUNHC-HOTGVXAUSA-N
MW330.32 g/mol
LogP2.79
Rot. Bonds6

About N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide

N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide (PubChem CID 95179512) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide
PubChem CID95179512
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC NameN-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H]1c1cccc(F)c1
InChIInChI=1S/C17H15FN2O4/c18-12-4-1-3-11(7-12)15-9-16(15)19-17(21)10-24-14-6-2-5-13(8-14)20(22)23/h1-8,15-16H,9-10H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyFGFXIPMBRDUNHC-HOTGVXAUSA-N
XLogP2.79
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.79
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

N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide
CID 95179514
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
CID 18077039
N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide
CID 114549924
4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 86977027
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 97011678
tert-butyl N-[(1R,2S)-2-(3-nitrophenyl)cyclopropyl]carbamate
CID 20666535
1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone
CID 60662380
1-[[2-(3-nitrophenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452394
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride
CID 120590455
N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865411

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide (CID 95179512) is N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide is O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H]1c1cccc(F)c1.
What is the InChIKey of N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide?
The InChIKey is FGFXIPMBRDUNHC-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H15FN2O4/c18-12-4-1-3-11(7-12)15-9-16(15)19-17(21)10-24-14-6-2-5-13(8-14)20(22)23/h1-8,15-16H,9-10H2,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide?
N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide has a molecular weight of 330.32 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 95179512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).