2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride

C16H24ClN3O2 — CID 119453622

IUPAC2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCC(C)(C)C(=O)Nc1ccccc1C(=O)NC1CCNC1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-16(2,3)15(21)19-13-7-5-4-6-12(13)14(20)18-11-8-9-17-10-11;/h4-7,11,17H,8-10H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyYXAKQUGUIHDEOY-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.18
Rot. Bonds3

About 2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride

2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119453622) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119453622
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCC(C)(C)C(=O)Nc1ccccc1C(=O)NC1CCNC1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-16(2,3)15(21)19-13-7-5-4-6-12(13)14(20)18-11-8-9-17-10-11;/h4-7,11,17H,8-10H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyYXAKQUGUIHDEOY-UHFFFAOYSA-N
XLogP2.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454167
2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450814
2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide
CID 60868065
2-methylsulfanyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79688478
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448601
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451945
4-[(2,2-dimethylpropanoylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450570
2-methyl-2-phenyl-N-pyrrolidin-3-ylpropanamide
CID 43603539

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119453622) is 2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride is CC(C)(C)C(=O)Nc1ccccc1C(=O)NC1CCNC1.Cl.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is YXAKQUGUIHDEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-16(2,3)15(21)19-13-7-5-4-6-12(13)14(20)18-11-8-9-17-10-11;/h4-7,11,17H,8-10H2,1-3H3,(H,18,20)(H,19,21);1H.
What are the key properties of 2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119453622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).