2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C20H24Cl2N2O2 — CID 119511583

IUPAC2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NCC1CCCN1
InChIInChI=1S/C20H23ClN2O2.ClH/c21-17-8-6-15(7-9-17)14-25-19-5-1-3-16(11-19)12-20(24)23-13-18-4-2-10-22-18;/h1,3,5-9,11,18,22H,2,4,10,12-14H2,(H,23,24);1H
InChIKeyVRISRMACPVQPRX-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.75
Rot. Bonds7

About 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119511583) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119511583
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC Name2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NCC1CCCN1
InChIInChI=1S/C20H23ClN2O2.ClH/c21-17-8-6-15(7-9-17)14-25-19-5-1-3-16(11-19)12-20(24)23-13-18-4-2-10-22-18;/h1,3,5-9,11,18,22H,2,4,10,12-14H2,(H,23,24);1H
InChIKeyVRISRMACPVQPRX-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119506352
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17151664
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
2-(2,3-dihydro-1H-inden-5-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510465
3-[(4-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427852
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 120659744
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 176799707
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119511583) is 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NCC1CCCN1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is VRISRMACPVQPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2.ClH/c21-17-8-6-15(7-9-17)14-25-19-5-1-3-16(11-19)12-20(24)23-13-18-4-2-10-22-18;/h1,3,5-9,11,18,22H,2,4,10,12-14H2,(H,23,24);1H.
What are the key properties of 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 395.33 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119511583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).