2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide

C17H18ClNO4 — CID 5105223

IUPAC2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C17H18ClNO4/c1-11(23-14-6-4-5-12(18)9-14)17(20)19-15-8-7-13(21-2)10-16(15)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyYXDQOEFNFFWRIO-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.76
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide

2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 5105223) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID5105223
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C17H18ClNO4/c1-11(23-14-6-4-5-12(18)9-14)17(20)19-15-8-7-13(21-2)10-16(15)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyYXDQOEFNFFWRIO-UHFFFAOYSA-N
XLogP3.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4319209
N-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203915
2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 3382354
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203937
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2S)-N-(2,4-dimethoxyphenyl)-2-(2-ethylphenoxy)propanamide
CID 94012680
N-(2,4-dimethoxyphenyl)-2-(2-ethylphenoxy)propanamide
CID 46763983
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652556
N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187208

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide (CID 5105223) is 2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is YXDQOEFNFFWRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-11(23-14-6-4-5-12(18)9-14)17(20)19-15-8-7-13(21-2)10-16(15)22-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide?
2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 335.79 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 5105223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).