2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide

C20H23ClN2O2 — CID 119534791

IUPAC2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Cl)NCCC1CCNC1
InChIInChI=1S/C20H23ClN2O2/c21-18-12-17(16-4-2-1-3-5-16)6-7-19(18)25-14-20(24)23-11-9-15-8-10-22-13-15/h1-7,12,15,22H,8-11,13-14H2,(H,23,24)
InChIKeyYEYVCWIMVRSEIC-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.50
Rot. Bonds7

About 2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide

2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 119534791) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID119534791
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Cl)NCCC1CCNC1
InChIInChI=1S/C20H23ClN2O2/c21-18-12-17(16-4-2-1-3-5-16)6-7-19(18)25-14-20(24)23-11-9-15-8-10-22-13-15/h1-7,12,15,22H,8-11,13-14H2,(H,23,24)
InChIKeyYEYVCWIMVRSEIC-UHFFFAOYSA-N
XLogP3.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
CID 7653172
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909
2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119533647
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119456429
2-(2,5-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557918
2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557950
N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119627165
2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537117

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 119534791) is 2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide is O=C(COc1ccc(-c2ccccc2)cc1Cl)NCCC1CCNC1.
What is the InChIKey of 2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is YEYVCWIMVRSEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-18-12-17(16-4-2-1-3-5-16)6-7-19(18)25-14-20(24)23-11-9-15-8-10-22-13-15/h1-7,12,15,22H,8-11,13-14H2,(H,23,24).
What are the key properties of 2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 358.87 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 119534791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).