N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide

C17H18ClNO2 — CID 7642627

IUPACN-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide
SMILESCCc1cc(OCC(=O)NCc2ccccc2)ccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-2-14-10-15(8-9-16(14)18)21-12-17(20)19-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyWYTNGWMUWPXJCC-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.60
Rot. Bonds6

About N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide

N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide (PubChem CID 7642627) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide
PubChem CID7642627
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide
SMILESCCc1cc(OCC(=O)NCc2ccccc2)ccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-2-14-10-15(8-9-16(14)18)21-12-17(20)19-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyWYTNGWMUWPXJCC-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-ethylphenoxy)-N-phenylacetamide
CID 7642625
1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
CID 62032160
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7642640
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
CID 84602074
2-(4-chloro-3-ethylphenoxy)-N-(2-methylphenyl)acetamide
CID 18074792
1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea
CID 24559610
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
2-(4-chloro-3-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18074796
3-benzyl-1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-methylthiourea
CID 7978949
2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
N-(3-bromophenyl)-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7917215

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide?
The IUPAC name of N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide (CID 7642627) is N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide?
The canonical SMILES for N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide is CCc1cc(OCC(=O)NCc2ccccc2)ccc1Cl.
What is the InChIKey of N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide?
The InChIKey is WYTNGWMUWPXJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-14-10-15(8-9-16(14)18)21-12-17(20)19-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide?
N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide is sourced from PubChem (CID 7642627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).