(2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide

C16H16Cl2N2O2 — CID 28867630

IUPAC(2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1N
InChIInChI=1S/C16H16Cl2N2O2/c1-9-3-5-12(8-14(9)19)20-16(21)10(2)22-15-6-4-11(17)7-13(15)18/h3-8,10H,19H2,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyLHKGGLHCSJEDFF-SNVBAGLBSA-N
MW339.22 g/mol
LogP4.29
Rot. Bonds4

About (2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide

(2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 28867630) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is (2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
PubChem CID28867630
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name(2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1N
InChIInChI=1S/C16H16Cl2N2O2/c1-9-3-5-12(8-14(9)19)20-16(21)10(2)22-15-6-4-11(17)7-13(15)18/h3-8,10H,19H2,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyLHKGGLHCSJEDFF-SNVBAGLBSA-N
XLogP4.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 28867631
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
2-chloro-4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoic acid
CID 28677019
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of (2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide (CID 28867630) is (2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide is Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1N.
What is the InChIKey of (2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is LHKGGLHCSJEDFF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-9-3-5-12(8-14(9)19)20-16(21)10(2)22-15-6-4-11(17)7-13(15)18/h3-8,10H,19H2,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?
(2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 339.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 28867630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).