2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide

C17H18ClNO3 — CID 3382354

IUPAC2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO3/c1-11-7-8-16(21-3)15(9-11)19-17(20)12(2)22-14-6-4-5-13(18)10-14/h4-10,12H,1-3H3,(H,19,20)
InChIKeyKKKVHJDDOSMROB-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.06
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide

2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 3382354) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID3382354
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO3/c1-11-7-8-16(21-3)15(9-11)19-17(20)12(2)22-14-6-4-5-13(18)10-14/h4-10,12H,1-3H3,(H,19,20)
InChIKeyKKKVHJDDOSMROB-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4319209
(2R)-2-(2,4-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2083484
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 17341494
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540
2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
CID 5105223
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide
CID 8956638
(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 92679623
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 8873735
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide (CID 3382354) is 2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is KKKVHJDDOSMROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-11-7-8-16(21-3)15(9-11)19-17(20)12(2)22-14-6-4-5-13(18)10-14/h4-10,12H,1-3H3,(H,19,20).
What are the key properties of 2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide?
2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 319.79 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 3382354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).