N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide

C18H20ClNO2 — CID 692222

IUPACN-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)Cc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C18H20ClNO2/c1-13-9-16(10-14(2)18(13)19)22-12-17(21)20(3)11-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3
InChIKeyLCWUZFGGHUEHJK-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.99
Rot. Bonds5

About N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide

N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide (PubChem CID 692222) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide
PubChem CID692222
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)Cc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C18H20ClNO2/c1-13-9-16(10-14(2)18(13)19)22-12-17(21)20(3)11-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3
InChIKeyLCWUZFGGHUEHJK-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(3-chlorophenoxy)acetamide
CID 309594
2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692216
N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-isopropyl-acetamide
CID 808118
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 753655
2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 883742
N-(4-chlorobenzyl)-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-ethanamine
CID 3820943
1-(4-Benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 752941
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(1-pyrrolidinyl)phenyl]acetamide
CID 1245566
(R)-1-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 9999626
2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692214
N-benzyl-2-(3-methylphenoxy)acetamide
CID 708636

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide (CID 692222) is N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide is Cc1cc(OCC(=O)N(C)Cc2ccccc2)cc(C)c1Cl.
What is the InChIKey of N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide?
The InChIKey is LCWUZFGGHUEHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-9-16(10-14(2)18(13)19)22-12-17(21)20(3)11-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3.
What are the key properties of N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide?
N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide has a molecular weight of 317.82 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide is sourced from PubChem (CID 692222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).