2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide

C17H18ClNO3 — CID 87296330

IUPAC2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide
SMILESCONC(=O)C(C)(Oc1ccc(Cl)c(C)c1)c1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-12-11-14(9-10-15(12)18)22-17(2,16(20)19-21-3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20)
InChIKeyDKMVKYABMZACLS-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.62
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide

2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide (PubChem CID 87296330) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide
PubChem CID87296330
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide
SMILESCONC(=O)C(C)(Oc1ccc(Cl)c(C)c1)c1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-12-11-14(9-10-15(12)18)22-17(2,16(20)19-21-3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20)
InChIKeyDKMVKYABMZACLS-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949
N-methoxy-2,2,2-triphenylacetamide
CID 175153772
dimethyl 2-(4-chloro-3-methylphenoxy)propanedioate
CID 94697757
2-(4-chloro-3-methylphenoxy)-2-methylpropanethioamide
CID 82085322
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
2-amino-N-(2-chloro-5-methoxyphenyl)-2-phenylpropanamide
CID 62489467
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 1409589
benzyl N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamate
CID 4935779
methyl 2-bromo-3-(4-chloro-3-methylphenoxy)propanoate
CID 81092453
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 51492437

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide (CID 87296330) is 2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide is CONC(=O)C(C)(Oc1ccc(Cl)c(C)c1)c1ccccc1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide?
The InChIKey is DKMVKYABMZACLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12-11-14(9-10-15(12)18)22-17(2,16(20)19-21-3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide?
2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide has a molecular weight of 319.79 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-methoxy-2-phenylpropanamide is sourced from PubChem (CID 87296330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).