4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride

C14H20ClN3O2 — CID 119277149

IUPAC4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NCC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H19N3O2.ClH/c15-9-11-3-5-12(6-4-11)14(19)16-10-13(18)17-7-1-2-8-17;/h3-6H,1-2,7-10,15H2,(H,16,19);1H
InChIKeyUODPYYUCMWRGDD-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.92
Rot. Bonds4

About 4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride

4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119277149) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
PubChem CID119277149
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NCC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H19N3O2.ClH/c15-9-11-3-5-12(6-4-11)14(19)16-10-13(18)17-7-1-2-8-17;/h3-6H,1-2,7-10,15H2,(H,16,19);1H
InChIKeyUODPYYUCMWRGDD-UHFFFAOYSA-N
XLogP0.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113405963
4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86988977
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673
N-[2-oxo-2-[4-[2-(pyridine-4-carbonylamino)acetyl]-1,4-diazepan-1-yl]ethyl]pyridine-4-carboxamide
CID 166219117
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
4-(aminomethyl)-N-(2-oxopropyl)benzamide
CID 23579223
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 46525121
N-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]azepane-1-carboxamide
CID 119310690
4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687414

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride (CID 119277149) is 4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride is Cl.NCc1ccc(C(=O)NCC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is UODPYYUCMWRGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c15-9-11-3-5-12(6-4-11)14(19)16-10-13(18)17-7-1-2-8-17;/h3-6H,1-2,7-10,15H2,(H,16,19);1H.
What are the key properties of 4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119277149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).