N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride

C19H23ClN2O2 — CID 119806005

IUPACN-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(-c2ccc(CNC(=O)C3CCNC3)cc2)cc1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-23-18-8-6-16(7-9-18)15-4-2-14(3-5-15)12-21-19(22)17-10-11-20-13-17;/h2-9,17,20H,10-13H2,1H3,(H,21,22);1H
InChIKeyBRZNPHMBDSBVNS-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.01
Rot. Bonds5

About N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride

N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119806005) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119806005
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(-c2ccc(CNC(=O)C3CCNC3)cc2)cc1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-23-18-8-6-16(7-9-18)15-4-2-14(3-5-15)12-21-19(22)17-10-11-20-13-17;/h2-9,17,20H,10-13H2,1H3,(H,21,22);1H
InChIKeyBRZNPHMBDSBVNS-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119776095
N-[(4-methoxyphenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 24700714
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119865560
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119853598
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 119299643

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119806005) is N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride is COc1ccc(-c2ccc(CNC(=O)C3CCNC3)cc2)cc1.Cl.
What is the InChIKey of N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is BRZNPHMBDSBVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c1-23-18-8-6-16(7-9-18)15-4-2-14(3-5-15)12-21-19(22)17-10-11-20-13-17;/h2-9,17,20H,10-13H2,1H3,(H,21,22);1H.
What are the key properties of N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119806005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).