N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C18H21ClN2O2 — CID 119708664

IUPACN-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1-c1cccc(NC(=O)C2CCNC2)c1.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-22-17-8-3-2-7-16(17)13-5-4-6-15(11-13)20-18(21)14-9-10-19-12-14;/h2-8,11,14,19H,9-10,12H2,1H3,(H,20,21);1H
InChIKeyIZJNYHCKRDNEEL-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.33
Rot. Bonds4

About N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119708664) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119708664
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1-c1cccc(NC(=O)C2CCNC2)c1.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-22-17-8-3-2-7-16(17)13-5-4-6-15(11-13)20-18(21)14-9-10-19-12-14;/h2-8,11,14,19H,9-10,12H2,1H3,(H,20,21);1H
InChIKeyIZJNYHCKRDNEEL-UHFFFAOYSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 119281226
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
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N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
N-[3-(2-methoxyphenyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119281223
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119707800
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
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N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119708664) is N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is COc1ccccc1-c1cccc(NC(=O)C2CCNC2)c1.Cl.
What is the InChIKey of N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is IZJNYHCKRDNEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c1-22-17-8-3-2-7-16(17)13-5-4-6-15(11-13)20-18(21)14-9-10-19-12-14;/h2-8,11,14,19H,9-10,12H2,1H3,(H,20,21);1H.
What are the key properties of N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119708664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).