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

C18H20ClNO3 — CID 53267118

IUPACN-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H20ClNO3/c1-4-22-15-6-8-16(9-7-15)23-13(3)18(21)20-17-10-5-14(19)11-12(17)2/h5-11,13H,4H2,1-3H3,(H,20,21)
InChIKeyUBZQWXGSIVYWDW-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.45
Rot. Bonds6

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

N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide (PubChem CID 53267118) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
PubChem CID53267118
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H20ClNO3/c1-4-22-15-6-8-16(9-7-15)23-13(3)18(21)20-17-10-5-14(19)11-12(17)2/h5-11,13H,4H2,1-3H3,(H,20,21)
InChIKeyUBZQWXGSIVYWDW-UHFFFAOYSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 53266190
2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide
CID 43000685
N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267905
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
2-(4-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511595
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933889
(2R)-N-(2,4-dichlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 9236171
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide (CID 53267118) is N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide is CCOc1ccc(OC(C)C(=O)Nc2ccc(Cl)cc2C)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide?
The InChIKey is UBZQWXGSIVYWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-4-22-15-6-8-16(9-7-15)23-13(3)18(21)20-17-10-5-14(19)11-12(17)2/h5-11,13H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide?
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide has a molecular weight of 333.82 g/mol, XLogP of 4.45, 6 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)-2-(4-ethoxyphenoxy)propanamide is sourced from PubChem (CID 53267118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).