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

C19H23ClN2O — CID 119767534

IUPACN-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cccc(-c2cccc(CNC(=O)C3CCNC3)c2)c1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-14-4-2-6-16(10-14)17-7-3-5-15(11-17)12-21-19(22)18-8-9-20-13-18;/h2-7,10-11,18,20H,8-9,12-13H2,1H3,(H,21,22);1H
InChIKeyBLDWSEUHBLDPGO-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.31
Rot. Bonds4

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

N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119767534) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119767534
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cccc(-c2cccc(CNC(=O)C3CCNC3)c2)c1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-14-4-2-6-16(10-14)17-7-3-5-15(11-17)12-21-19(22)18-8-9-20-13-18;/h2-7,10-11,18,20H,8-9,12-13H2,1H3,(H,21,22);1H
InChIKeyBLDWSEUHBLDPGO-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-methyl-N-[[3-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630059
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
(3R)-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 95119935
N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 50949083
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119842564
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55150240
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119853598
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119767534) is N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride is Cc1cccc(-c2cccc(CNC(=O)C3CCNC3)c2)c1.Cl.
What is the InChIKey of N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is BLDWSEUHBLDPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c1-14-4-2-6-16(10-14)17-7-3-5-15(11-17)12-21-19(22)18-8-9-20-13-18;/h2-7,10-11,18,20H,8-9,12-13H2,1H3,(H,21,22);1H.
What are the key properties of N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119767534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).