(2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide

C16H15ClN2O4 — CID 9384201

IUPAC(2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
SMILESCc1cc(O[C@H](C)C(=O)Nc2ccccc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN2O4/c1-10-9-12(7-8-15(10)19(21)22)23-11(2)16(20)18-14-6-4-3-5-13(14)17/h3-9,11H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyYHULEQGUOOQBSH-LLVKDONJSA-N
MW334.76 g/mol
LogP3.96
Rot. Bonds5

About (2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide

(2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide (PubChem CID 9384201) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
PubChem CID9384201
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name(2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
SMILESCc1cc(O[C@H](C)C(=O)Nc2ccccc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN2O4/c1-10-9-12(7-8-15(10)19(21)22)23-11(2)16(20)18-14-6-4-3-5-13(14)17/h3-9,11H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyYHULEQGUOOQBSH-LLVKDONJSA-N
XLogP3.96
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.96
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-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 24500733
2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide
CID 2939832
(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384278
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
(2S)-N-(4-chloro-2-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384236
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384234
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953593
(2S)-N-(3-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384222

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide (CID 9384201) is (2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide is Cc1cc(O[C@H](C)C(=O)Nc2ccccc2Cl)ccc1[N+](=O)[O-].
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide?
The InChIKey is YHULEQGUOOQBSH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10-9-12(7-8-15(10)19(21)22)23-11(2)16(20)18-14-6-4-3-5-13(14)17/h3-9,11H,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide?
(2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide has a molecular weight of 334.76 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide is sourced from PubChem (CID 9384201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).