N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide

C12H16ClNO2 — CID 110788808

IUPACN-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
SMILESCOc1cc(C)c(CCNC(C)=O)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-8-6-12(16-3)11(13)7-10(8)4-5-14-9(2)15/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyHJUMKVNSSMBTPB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.34
Rot. Bonds4

About N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide

N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide (PubChem CID 110788808) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
PubChem CID110788808
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
SMILESCOc1cc(C)c(CCNC(C)=O)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-8-6-12(16-3)11(13)7-10(8)4-5-14-9(2)15/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyHJUMKVNSSMBTPB-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
CID 110775836
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110788813
2-[2-(5-chloro-4-methoxy-2-methylphenyl)ethylamino]acetonitrile
CID 115131221
2-(2,5-dichloro-4-methoxyphenyl)ethylurea
CID 115168522
3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide
CID 116846356
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864
1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea
CID 110775837
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 110768709
N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide
CID 110788828
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
CID 115166223
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82481590

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide (CID 110788808) is N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide is COc1cc(C)c(CCNC(C)=O)cc1Cl.
What is the InChIKey of N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide?
The InChIKey is HJUMKVNSSMBTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-6-12(16-3)11(13)7-10(8)4-5-14-9(2)15/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide?
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide has a molecular weight of 241.72 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 110788808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).