2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide

C18H20ClNO2 — CID 43916161

IUPAC2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C18H20ClNO2/c1-12-4-6-15(7-5-12)14(3)20-18(21)11-22-16-8-9-17(19)13(2)10-16/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyAQKIGNISJJKSMI-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.21
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide (PubChem CID 43916161) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
PubChem CID43916161
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C18H20ClNO2/c1-12-4-6-15(7-5-12)14(3)20-18(21)11-22-16-8-9-17(19)13(2)10-16/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyAQKIGNISJJKSMI-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7794652
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328371
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide
CID 55748250
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567361
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567363
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43915360

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide (CID 43916161) is 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)COc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is AQKIGNISJJKSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12-4-6-15(7-5-12)14(3)20-18(21)11-22-16-8-9-17(19)13(2)10-16/h4-10,14H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 317.82 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 43916161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).