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

C18H20ClNO3 — CID 17425680

IUPACN-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide
SMILESCCOc1ccccc1OCCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C18H20ClNO3/c1-3-22-16-6-4-5-7-17(16)23-11-10-18(21)20-15-9-8-14(19)12-13(15)2/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyVCOKNIWCNQALHW-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.45
Rot. Bonds7

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

N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide (PubChem CID 17425680) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide
PubChem CID17425680
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide
SMILESCCOc1ccccc1OCCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C18H20ClNO3/c1-3-22-16-6-4-5-7-17(16)23-11-10-18(21)20-15-9-8-14(19)12-13(15)2/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyVCOKNIWCNQALHW-UHFFFAOYSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
CID 39088317
N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955185
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
N-(4-acetamido-3-chlorophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 25470676
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524394
ethyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate
CID 60660611
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789502
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide
CID 26071027

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide (CID 17425680) is N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide is CCOc1ccccc1OCCC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide?
The InChIKey is VCOKNIWCNQALHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-3-22-16-6-4-5-7-17(16)23-11-10-18(21)20-15-9-8-14(19)12-13(15)2/h4-9,12H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide?
N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide has a molecular weight of 333.82 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide is sourced from PubChem (CID 17425680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).