2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide

C21H25ClN2O2 — CID 119534430

IUPAC2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NCCC1CCNC1
InChIInChI=1S/C21H25ClN2O2/c22-19-5-1-4-18(11-19)15-26-20-6-2-3-17(12-20)13-21(25)24-10-8-16-7-9-23-14-16/h1-6,11-12,16,23H,7-10,13-15H2,(H,24,25)
InChIKeyGIGCKWZBINQZGO-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.58
Rot. Bonds8

About 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide

2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 119534430) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID119534430
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NCCC1CCNC1
InChIInChI=1S/C21H25ClN2O2/c22-19-5-1-4-18(11-19)15-26-20-6-2-3-17(12-20)13-21(25)24-10-8-16-7-9-23-14-16/h1-6,11-12,16,23H,7-10,13-15H2,(H,24,25)
InChIKeyGIGCKWZBINQZGO-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperidin-3-ylethyl)acetamide
CID 119556601
2-(3-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55248998
3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449796
N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide
CID 119405733
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide
CID 119505661
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
2-(5-chloro-2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119533390
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537117
5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119537396
2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909
N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119537103

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 119534430) is 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide is O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NCCC1CCNC1.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is GIGCKWZBINQZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-19-5-1-4-18(11-19)15-26-20-6-2-3-17(12-20)13-21(25)24-10-8-16-7-9-23-14-16/h1-6,11-12,16,23H,7-10,13-15H2,(H,24,25).
What are the key properties of 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 372.90 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 119534430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).