2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide

C16H17ClN2O2 — CID 82027590

IUPAC2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccccc2N)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-10-7-8-12(9-13(10)17)19-16(20)11(2)21-15-6-4-3-5-14(15)18/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyLVEADDZURPNEDH-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.64
Rot. Bonds4

About 2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide

2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 82027590) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID82027590
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccccc2N)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-10-7-8-12(9-13(10)17)19-16(20)11(2)21-15-6-4-3-5-14(15)18/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyLVEADDZURPNEDH-UHFFFAOYSA-N
XLogP3.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.64
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

2-(2-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 56686980
(2R)-N-(3-chloro-4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 99952466
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
(2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 28867630
(2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 28867631
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 7900423
ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate
CID 43886476
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28631237
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53267219
N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 17045551

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide (CID 82027590) is 2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Oc2ccccc2N)cc1Cl.
What is the InChIKey of 2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is LVEADDZURPNEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-7-8-12(9-13(10)17)19-16(20)11(2)21-15-6-4-3-5-14(15)18/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide?
2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 304.78 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 82027590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).