4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C13H17ClN2O2 — CID 119449499

IUPAC4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCC(=O)c1ccc(C(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C13H16N2O2.ClH/c1-9(16)10-2-4-11(5-3-10)13(17)15-12-6-7-14-8-12;/h2-5,12,14H,6-8H2,1H3,(H,15,17);1H
InChIKeyNBPBGOORUNXQQX-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.40
Rot. Bonds3

About 4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119449499) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119449499
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCC(=O)c1ccc(C(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C13H16N2O2.ClH/c1-9(16)10-2-4-11(5-3-10)13(17)15-12-6-7-14-8-12;/h2-5,12,14H,6-8H2,1H3,(H,15,17);1H
InChIKeyNBPBGOORUNXQQX-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119454257
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454464
4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453816

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119449499) is 4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CC(=O)c1ccc(C(=O)NC2CCNC2)cc1.Cl.
What is the InChIKey of 4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is NBPBGOORUNXQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.ClH/c1-9(16)10-2-4-11(5-3-10)13(17)15-12-6-7-14-8-12;/h2-5,12,14H,6-8H2,1H3,(H,15,17);1H.
What are the key properties of 4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 268.74 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119449499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).