(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide

C16H15FN2O4 — CID 92682200

IUPAC(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15FN2O4/c1-2-15(23-14-8-6-11(17)7-9-14)16(20)18-12-4-3-5-13(10-12)19(21)22/h3-10,15H,2H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyQJJOZZBSPYJFDH-HNNXBMFYSA-N
MW318.30 g/mol
LogP3.53
Rot. Bonds6

About (2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide

(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide (PubChem CID 92682200) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
PubChem CID92682200
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15FN2O4/c1-2-15(23-14-8-6-11(17)7-9-14)16(20)18-12-4-3-5-13(10-12)19(21)22/h3-10,15H,2H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyQJJOZZBSPYJFDH-HNNXBMFYSA-N
XLogP3.53
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.53
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-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 21368486
2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 132651293
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-nitrophenyl)butanamide
CID 133186860
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 9172432
(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide
CID 92679949
(2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide
CID 92684735
(2S)-2-(2,3-dimethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 99958785
(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide
CID 94183984
2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
CID 17150578
(2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 94019296

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide (CID 92682200) is (2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide?
The InChIKey is QJJOZZBSPYJFDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-2-15(23-14-8-6-11(17)7-9-14)16(20)18-12-4-3-5-13(10-12)19(21)22/h3-10,15H,2H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide?
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide has a molecular weight of 318.30 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide is sourced from PubChem (CID 92682200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).