(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide

C17H17ClN2O4 — CID 92678067

IUPAC(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C
InChIInChI=1S/C17H17ClN2O4/c1-10-5-4-6-16(11(10)2)24-12(3)17(21)19-15-9-13(20(22)23)7-8-14(15)18/h4-9,12H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyFHUURZDUTTZIIK-LBPRGKRZSA-N
MW348.79 g/mol
LogP4.27
Rot. Bonds5

About (2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide

(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 92678067) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is (2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
PubChem CID92678067
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C
InChIInChI=1S/C17H17ClN2O4/c1-10-5-4-6-16(11(10)2)24-12(3)17(21)19-15-9-13(20(22)23)7-8-14(15)18/h4-9,12H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyFHUURZDUTTZIIK-LBPRGKRZSA-N
XLogP4.27
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.27
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-(2-chloro-5-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160860
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266753
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
CID 3950317
(2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide
CID 92684102
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 38916474
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 46771651
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
CID 7865200
2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46763828
(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
CID 78972381

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide (CID 92678067) is (2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C.
What is the InChIKey of (2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is FHUURZDUTTZIIK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10-5-4-6-16(11(10)2)24-12(3)17(21)19-15-9-13(20(22)23)7-8-14(15)18/h4-9,12H,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide?
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 348.79 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 92678067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).