N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide

C18H20ClNO2 — CID 112978890

IUPACN-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C18H20ClNO2/c1-3-20(12-15-7-5-4-6-8-15)18(21)13-22-17-10-9-16(19)11-14(17)2/h4-11H,3,12-13H2,1-2H3
InChIKeyZVGQFVKDIHXXQD-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.08
Rot. Bonds6

About N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide

N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide (PubChem CID 112978890) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
PubChem CID112978890
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C18H20ClNO2/c1-3-20(12-15-7-5-4-6-8-15)18(21)13-22-17-10-9-16(19)11-14(17)2/h4-11H,3,12-13H2,1-2H3
InChIKeyZVGQFVKDIHXXQD-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide
CID 112778759
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7493477
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874485
2-[[2-(4-chloro-2-methylphenoxy)acetyl]-prop-2-ynylamino]acetic acid
CID 79275280
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide
CID 108999015
2-(2,5-dichlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55398454
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide
CID 91764944
2-(2-acetamidophenoxy)-N-benzyl-N-ethylacetamide
CID 7867368

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide (CID 112978890) is N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide?
The InChIKey is ZVGQFVKDIHXXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-20(12-15-7-5-4-6-8-15)18(21)13-22-17-10-9-16(19)11-14(17)2/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide?
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide has a molecular weight of 317.82 g/mol, XLogP of 4.08, 6 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-2-methylphenoxy)-N-ethylacetamide is sourced from PubChem (CID 112978890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).