N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride

C20H24ClN3O2 — CID 119551107

IUPACN-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)N(C)C2CCNC2)c1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-14-6-5-7-15(12-14)19(24)22-18-9-4-3-8-17(18)20(25)23(2)16-10-11-21-13-16;/h3-9,12,16,21H,10-11,13H2,1-2H3,(H,22,24);1H
InChIKeyAECJNCWUYNVUHH-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.10
Rot. Bonds4

About N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride

N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119551107) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119551107
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)N(C)C2CCNC2)c1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-14-6-5-7-15(12-14)19(24)22-18-9-4-3-8-17(18)20(25)23(2)16-10-11-21-13-16;/h3-9,12,16,21H,10-11,13H2,1-2H3,(H,22,24);1H
InChIKeyAECJNCWUYNVUHH-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552674
N-cyclohexyl-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 4938871
2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide
CID 119386927
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613629
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
N-[2-methyl-6-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 119551533
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119553089

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119551107) is N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cc1cccc(C(=O)Nc2ccccc2C(=O)N(C)C2CCNC2)c1.Cl.
What is the InChIKey of N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is AECJNCWUYNVUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-14-6-5-7-15(12-14)19(24)22-18-9-4-3-8-17(18)20(25)23(2)16-10-11-21-13-16;/h3-9,12,16,21H,10-11,13H2,1-2H3,(H,22,24);1H.
What are the key properties of N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119551107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).