(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide

C16H15ClN2O4 — CID 8562600

IUPAC(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15ClN2O4/c1-10-3-8-15(14(9-10)19(21)22)23-11(2)16(20)18-13-6-4-12(17)5-7-13/h3-9,11H,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyMBLXHLPWDCZGTI-NSHDSACASA-N
MW334.76 g/mol
LogP3.96
Rot. Bonds5

About (2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide

(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide (PubChem CID 8562600) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
PubChem CID8562600
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15ClN2O4/c1-10-3-8-15(14(9-10)19(21)22)23-11(2)16(20)18-13-6-4-12(17)5-7-13/h3-9,11H,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyMBLXHLPWDCZGTI-NSHDSACASA-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

(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8560082
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941358
(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 8562253
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562055
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 1293039
(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941347
N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
CID 4818098
(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7990797

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide (CID 8562600) is (2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The InChIKey is MBLXHLPWDCZGTI-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10-3-8-15(14(9-10)19(21)22)23-11(2)16(20)18-13-6-4-12(17)5-7-13/h3-9,11H,1-2H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-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 (2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide is sourced from PubChem (CID 8562600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).