3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride

C19H22ClN3O2 — CID 119716935

IUPAC3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c1
InChIInChI=1S/C19H21N3O2.ClH/c20-17-4-1-3-16(11-17)19(24)21-12-14-6-8-15(9-7-14)13-22-10-2-5-18(22)23;/h1,3-4,6-9,11H,2,5,10,12-13,20H2,(H,21,24);1H
InChIKeyMKYBDQKLCCMFCM-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.74
Rot. Bonds5

About 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride

3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride (PubChem CID 119716935) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride
PubChem CID119716935
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c1
InChIInChI=1S/C19H21N3O2.ClH/c20-17-4-1-3-16(11-17)19(24)21-12-14-6-8-15(9-7-14)13-22-10-2-5-18(22)23;/h1,3-4,6-9,11H,2,5,10,12-13,20H2,(H,21,24);1H
InChIKeyMKYBDQKLCCMFCM-UHFFFAOYSA-N
XLogP2.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 119759695
3,4-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 96545359
3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 100626204
3-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;trihydrochloride
CID 119901627
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9036253
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
5-amino-2-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 120621582
3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 115160767
4-morpholin-4-yl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46974678
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride (CID 119716935) is 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride is Cl.Nc1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c1.
What is the InChIKey of 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride?
The InChIKey is MKYBDQKLCCMFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c20-17-4-1-3-16(11-17)19(24)21-12-14-6-8-15(9-7-14)13-22-10-2-5-18(22)23;/h1,3-4,6-9,11H,2,5,10,12-13,20H2,(H,21,24);1H.
What are the key properties of 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride?
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119716935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).