(2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide

C17H17FN2O5 — CID 94019296

IUPAC(2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C17H17FN2O5/c1-3-15(25-13-7-4-11(18)5-8-13)17(21)19-14-10-12(20(22)23)6-9-16(14)24-2/h4-10,15H,3H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyHCEZTHPZVZNZSU-HNNXBMFYSA-N
MW348.33 g/mol
LogP3.54
Rot. Bonds7

About (2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide

(2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide (PubChem CID 94019296) has the molecular formula C17H17FN2O5 and a molecular weight of 348.33 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
PubChem CID94019296
Molecular FormulaC17H17FN2O5
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C17H17FN2O5/c1-3-15(25-13-7-4-11(18)5-8-13)17(21)19-14-10-12(20(22)23)6-9-16(14)24-2/h4-10,15H,3H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyHCEZTHPZVZNZSU-HNNXBMFYSA-N
XLogP3.54
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
CID 2931263
N-(2-methoxy-5-nitrophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133209812
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 30393331
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
CID 92682200
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7555560
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 99956520
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
CID 4949937
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
1-[2-(4-fluorophenoxy)ethyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 47031754
(2R)-2-(4-fluorophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2629172
1-[1-(4-fluorophenyl)ethyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 47031768
(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763707

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide (CID 94019296) is (2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide?
The InChIKey is HCEZTHPZVZNZSU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17FN2O5/c1-3-15(25-13-7-4-11(18)5-8-13)17(21)19-14-10-12(20(22)23)6-9-16(14)24-2/h4-10,15H,3H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide?
(2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide has a molecular weight of 348.33 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide is sourced from PubChem (CID 94019296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).