N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide

C20H22N2O2 — CID 124613629

IUPACN-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@@H]2CCNC2)cc1
InChIInChI=1S/C20H22N2O2/c1-14-7-9-15(10-8-14)19(23)17-5-3-4-6-18(17)20(24)22(2)16-11-12-21-13-16/h3-10,16,21H,11-13H2,1-2H3/t16-/m1/s1
InChIKeyGCFKNSDBXCRHMF-MRXNPFEDSA-N
MW322.41 g/mol
LogP2.66
Rot. Bonds4

About N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide

N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 124613629) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID124613629
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@@H]2CCNC2)cc1
InChIInChI=1S/C20H22N2O2/c1-14-7-9-15(10-8-14)19(23)17-5-3-4-6-18(17)20(24)22(2)16-11-12-21-13-16/h3-10,16,21H,11-13H2,1-2H3/t16-/m1/s1
InChIKeyGCFKNSDBXCRHMF-MRXNPFEDSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119553741
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
2-benzamido-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552674
2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 55026964
N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551107
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
N,2,4-trimethyl-N-piperidin-3-ylbenzamide
CID 60807214
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119550200
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613861
N,2-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119554205

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 124613629) is N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@@H]2CCNC2)cc1.
What is the InChIKey of N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is GCFKNSDBXCRHMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-7-9-15(10-8-14)19(23)17-5-3-4-6-18(17)20(24)22(2)16-11-12-21-13-16/h3-10,16,21H,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 124613629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).