(2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide

C17H17ClN2O4 — CID 92684102

IUPAC(2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C17H17ClN2O4/c1-3-15(24-16-7-5-4-6-11(16)2)17(21)19-14-10-12(20(22)23)8-9-13(14)18/h4-10,15H,3H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyPZKSTAPEMZTKSH-OAHLLOKOSA-N
MW348.79 g/mol
LogP4.35
Rot. Bonds6

About (2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide

(2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide (PubChem CID 92684102) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is (2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide
PubChem CID92684102
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name(2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C17H17ClN2O4/c1-3-15(24-16-7-5-4-6-11(16)2)17(21)19-14-10-12(20(22)23)8-9-13(14)18/h4-10,15H,3H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyPZKSTAPEMZTKSH-OAHLLOKOSA-N
XLogP4.35
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.35
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-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46771310
2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46763828
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 30393331
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 132652338
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 92678067
N'-[2-(2-methylphenoxy)butanoyl]-3-nitrobenzohydrazide
CID 4932128
(2S)-N-(2-chloro-5-nitrophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100522918
(2S)-2-(2,3-dimethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 99958785
N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
CID 2931263
N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide
CID 46735826

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of (2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide (CID 92684102) is (2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for (2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide is CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of (2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is PZKSTAPEMZTKSH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-3-15(24-16-7-5-4-6-11(16)2)17(21)19-14-10-12(20(22)23)8-9-13(14)18/h4-10,15H,3H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide?
(2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 348.79 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 92684102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).