N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide

C12H16ClNO2 — CID 110781893

IUPACN-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
SMILESCCOc1cc(C)c(CNC(C)=O)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-4-16-12-5-8(2)10(6-11(12)13)7-14-9(3)15/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyXBOUMXQUMGGFFY-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.68
Rot. Bonds4

About N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide

N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide (PubChem CID 110781893) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
PubChem CID110781893
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
SMILESCCOc1cc(C)c(CNC(C)=O)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-4-16-12-5-8(2)10(6-11(12)13)7-14-9(3)15/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyXBOUMXQUMGGFFY-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea
CID 110775837
N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide
CID 110788828
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]propan-1-amine
CID 95455460
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
CID 110780864
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
CID 115166223
2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide
CID 75387694
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774931

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide?
The IUPAC name of N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide (CID 110781893) is N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide is CCOc1cc(C)c(CNC(C)=O)cc1Cl.
What is the InChIKey of N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide?
The InChIKey is XBOUMXQUMGGFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-4-16-12-5-8(2)10(6-11(12)13)7-14-9(3)15/h5-6H,4,7H2,1-3H3,(H,14,15).
What are the key properties of N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide?
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide has a molecular weight of 241.72 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 110781893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).