(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide

C21H18N2O4 — CID 7212772

IUPAC(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H18N2O4/c1-15(21(24)22-19-9-5-6-10-20(19)23(25)26)27-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3,(H,22,24)/t15-/m0/s1
InChIKeyBRMKPPSQKHMZPF-HNNXBMFYSA-N
MW362.39 g/mol
LogP4.67
Rot. Bonds6

About (2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide

(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide (PubChem CID 7212772) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is (2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
PubChem CID7212772
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H18N2O4/c1-15(21(24)22-19-9-5-6-10-20(19)23(25)26)27-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3,(H,22,24)/t15-/m0/s1
InChIKeyBRMKPPSQKHMZPF-HNNXBMFYSA-N
XLogP4.67
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.67
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-bromophenoxy)-N-(2-nitrophenyl)propanamide
CID 2953745
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833634
2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide
CID 2939832
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511
(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7231677
(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide
CID 7453838
2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide
CID 17358897
N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide
CID 4951768
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266753

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide (CID 7212772) is (2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide is C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide?
The InChIKey is BRMKPPSQKHMZPF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-15(21(24)22-19-9-5-6-10-20(19)23(25)26)27-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide?
(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide has a molecular weight of 362.39 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 7212772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).