N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride

C20H24ClN3O2 — CID 119679402

IUPACN-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCNC2)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-14-6-8-15(9-7-14)12-22-20(25)17-4-2-3-5-18(17)23-19(24)16-10-11-21-13-16;/h2-9,16,21H,10-13H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyOSGOKNXHJOULPB-UHFFFAOYSA-N
MW373.88 g/mol
LogP2.89
Rot. Bonds5

About N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119679402) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119679402
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCNC2)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-14-6-8-15(9-7-14)12-22-20(25)17-4-2-3-5-18(17)23-19(24)16-10-11-21-13-16;/h2-9,16,21H,10-13H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyOSGOKNXHJOULPB-UHFFFAOYSA-N
XLogP2.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 95119935
N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 50949083
N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63006645
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607859
N-[2-(ethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119284316
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119679398
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119679399
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119679402) is N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride is Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCNC2)cc1.Cl.
What is the InChIKey of N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is OSGOKNXHJOULPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-14-6-8-15(9-7-14)12-22-20(25)17-4-2-3-5-18(17)23-19(24)16-10-11-21-13-16;/h2-9,16,21H,10-13H2,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119679402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).