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

C18H20ClNO2 — CID 53267219

IUPACN-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
SMILESCCc1cccc(OC(C)C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H20ClNO2/c1-4-14-6-5-7-16(10-14)22-13(3)18(21)20-15-9-8-12(2)17(19)11-15/h5-11,13H,4H2,1-3H3,(H,20,21)
InChIKeyIHESQPLLIZRSGL-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.62
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide (PubChem CID 53267219) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
PubChem CID53267219
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
SMILESCCc1cccc(OC(C)C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H20ClNO2/c1-4-14-6-5-7-16(10-14)22-13(3)18(21)20-15-9-8-12(2)17(19)11-15/h5-11,13H,4H2,1-3H3,(H,20,21)
InChIKeyIHESQPLLIZRSGL-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266830
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388671
2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 53267152
(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 7900423
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
N-(2,4-dichlorophenyl)-2-(3-ethylphenoxy)propanamide
CID 53267195
N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7709326
N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide
CID 53266903
N-(2,3-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266821

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide (CID 53267219) is N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide is CCc1cccc(OC(C)C(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide?
The InChIKey is IHESQPLLIZRSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-14-6-5-7-16(10-14)22-13(3)18(21)20-15-9-8-12(2)17(19)11-15/h5-11,13H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide?
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide is sourced from PubChem (CID 53267219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).