(2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide

C17H17ClN2O4 — CID 28575679

IUPAC(2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C17H17ClN2O4/c1-3-16(24-13-7-4-6-12(18)10-13)17(21)19-14-8-5-9-15(11(14)2)20(22)23/h4-10,16H,3H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyBIZXHDSPFYMFAS-INIZCTEOSA-N
MW348.79 g/mol
LogP4.35
Rot. Bonds6

About (2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide

(2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide (PubChem CID 28575679) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide
PubChem CID28575679
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C17H17ClN2O4/c1-3-16(24-13-7-4-6-12(18)10-13)17(21)19-14-8-5-9-15(11(14)2)20(22)23/h4-10,16H,3H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyBIZXHDSPFYMFAS-INIZCTEOSA-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'}

Analyze (2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 43916773
(2S)-N-(2-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100746467
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-methyl-3-nitrophenyl)butanamide
CID 100612839
2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 43915885
(2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide
CID 92682680
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
methyl 2-[2-(3-chlorophenoxy)butanoylamino]benzoate
CID 43904326
N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide
CID 2932932
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide (CID 28575679) is (2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide is CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide?
The InChIKey is BIZXHDSPFYMFAS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-3-16(24-13-7-4-6-12(18)10-13)17(21)19-14-8-5-9-15(11(14)2)20(22)23/h4-10,16H,3H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide?
(2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)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 (2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide is sourced from PubChem (CID 28575679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).