N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C19H22Cl2N2O2 — CID 176799707

IUPACN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(OCc2ccc(Cl)cc2)cc1)C1CCCN1
InChIInChI=1S/C19H21ClN2O2.ClH/c20-16-7-3-15(4-8-16)13-24-17-9-5-14(6-10-17)12-22-19(23)18-2-1-11-21-18;/h3-10,18,21H,1-2,11-13H2,(H,22,23);1H
InChIKeyJOBIIOJLDDIJSO-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.71
Rot. Bonds6

About N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 176799707) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID176799707
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(OCc2ccc(Cl)cc2)cc1)C1CCCN1
InChIInChI=1S/C19H21ClN2O2.ClH/c20-16-7-3-15(4-8-16)13-24-17-9-5-14(6-10-17)12-22-19(23)18-2-1-11-21-18;/h3-10,18,21H,1-2,11-13H2,(H,22,23);1H
InChIKeyJOBIIOJLDDIJSO-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 169450142
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119277640
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119289297
N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296140
(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119296149
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271349
N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 119289286
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119317658
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 144982115

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 176799707) is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(OCc2ccc(Cl)cc2)cc1)C1CCCN1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JOBIIOJLDDIJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2.ClH/c20-16-7-3-15(4-8-16)13-24-17-9-5-14(6-10-17)12-22-19(23)18-2-1-11-21-18;/h3-10,18,21H,1-2,11-13H2,(H,22,23);1H.
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 381.30 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 176799707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).