3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride

C15H22ClN3O2 — CID 119770329

IUPAC3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CCNC(=O)CC2CCCN2)c1
InChIInChI=1S/C15H21N3O2.ClH/c16-15(20)12-4-1-3-11(9-12)6-8-18-14(19)10-13-5-2-7-17-13;/h1,3-4,9,13,17H,2,5-8,10H2,(H2,16,20)(H,18,19);1H
InChIKeyUPHLCURVKVRHRD-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.01
Rot. Bonds6

About 3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride

3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride (PubChem CID 119770329) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
PubChem CID119770329
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CCNC(=O)CC2CCCN2)c1
InChIInChI=1S/C15H21N3O2.ClH/c16-15(20)12-4-1-3-11(9-12)6-8-18-14(19)10-13-5-2-7-17-13;/h1,3-4,9,13,17H,2,5-8,10H2,(H2,16,20)(H,18,19);1H
InChIKeyUPHLCURVKVRHRD-UHFFFAOYSA-N
XLogP1.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
CID 61366263
N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119315844
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571
N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770333
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
CID 104955014
3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride
CID 119779671
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119739702
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide
CID 79540029
2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160524
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride?
The IUPAC name of 3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride (CID 119770329) is 3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride is Cl.NC(=O)c1cccc(CCNC(=O)CC2CCCN2)c1.
What is the InChIKey of 3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride?
The InChIKey is UPHLCURVKVRHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c16-15(20)12-4-1-3-11(9-12)6-8-18-14(19)10-13-5-2-7-17-13;/h1,3-4,9,13,17H,2,5-8,10H2,(H2,16,20)(H,18,19);1H.
What are the key properties of 3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride?
3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119770329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).