N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C14H21ClN2O — CID 119554368

IUPACN,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C2CCNC2)cc1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-4-5-12(8-11(10)2)14(17)16(3)13-6-7-15-9-13;/h4-5,8,13,15H,6-7,9H2,1-3H3;1H
InChIKeyRYJTZALGRMLVHW-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.16
Rot. Bonds2

About N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119554368) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119554368
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C2CCNC2)cc1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-4-5-12(8-11(10)2)14(17)16(3)13-6-7-15-9-13;/h4-5,8,13,15H,6-7,9H2,1-3H3;1H
InChIKeyRYJTZALGRMLVHW-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
CID 154750787
N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613574
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
N,4-dimethyl-N-pyrrolidin-3-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride
CID 176731387
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550537
3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 81476273
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
CID 119552387
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119554368) is N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cc1ccc(C(=O)N(C)C2CCNC2)cc1C.Cl.
What is the InChIKey of N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is RYJTZALGRMLVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10-4-5-12(8-11(10)2)14(17)16(3)13-6-7-15-9-13;/h4-5,8,13,15H,6-7,9H2,1-3H3;1H.
What are the key properties of N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119554368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).