N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

C19H23ClN2O2 — CID 119736957

IUPACN-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1OCc1ccccc1)C1CCNC1
InChIInChI=1S/C19H22N2O2.ClH/c22-19(17-10-11-20-12-17)21-13-16-8-4-5-9-18(16)23-14-15-6-2-1-3-7-15;/h1-9,17,20H,10-14H2,(H,21,22);1H
InChIKeyRKVMGIBGHRALIS-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.91
Rot. Bonds6

About N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119736957) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119736957
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1OCc1ccccc1)C1CCNC1
InChIInChI=1S/C19H22N2O2.ClH/c22-19(17-10-11-20-12-17)21-13-16-8-4-5-9-18(16)23-14-15-6-2-1-3-7-15;/h1-9,17,20H,10-14H2,(H,21,22);1H
InChIKeyRKVMGIBGHRALIS-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 94915415
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N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride
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N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
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CID 119283165
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
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N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
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N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
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N-[2-(2-ethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119772912

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119736957) is N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1OCc1ccccc1)C1CCNC1.
What is the InChIKey of N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is RKVMGIBGHRALIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c22-19(17-10-11-20-12-17)21-13-16-8-4-5-9-18(16)23-14-15-6-2-1-3-7-15;/h1-9,17,20H,10-14H2,(H,21,22);1H.
What are the key properties of N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119736957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).