N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride

C14H18Cl3N3O2 — CID 119484282

IUPACN-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
SMILESCl.NCC1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2N3O2.ClH/c15-11-2-1-10(5-12(11)16)14(21)18-7-13(20)19-4-3-9(6-17)8-19;/h1-2,5,9H,3-4,6-8,17H2,(H,18,21);1H
InChIKeyLIDMYSUICKLGTI-UHFFFAOYSA-N
MW366.68 g/mol
LogP1.95
Rot. Bonds4

About N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride

N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride (PubChem CID 119484282) has the molecular formula C14H18Cl3N3O2 and a molecular weight of 366.68 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
PubChem CID119484282
Molecular FormulaC14H18Cl3N3O2
Molecular Weight366.68 g/mol
Exact Mass365.05
IUPAC NameN-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
SMILESCl.NCC1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2N3O2.ClH/c15-11-2-1-10(5-12(11)16)14(21)18-7-13(20)19-4-3-9(6-17)8-19;/h1-2,5,9H,3-4,6-8,17H2,(H,18,21);1H
InChIKeyLIDMYSUICKLGTI-UHFFFAOYSA-N
XLogP1.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.68
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 119373866
1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide
CID 59764780
3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 119622615
N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 59764623
3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59764910
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 55146937
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 95365649
N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119465004
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 119467092
3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 69228795
N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119487124
3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide
CID 143675119

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
The IUPAC name of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride (CID 119484282) is N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
The canonical SMILES for N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride is Cl.NCC1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
The InChIKey is LIDMYSUICKLGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2.ClH/c15-11-2-1-10(5-12(11)16)14(21)18-7-13(20)19-4-3-9(6-17)8-19;/h1-2,5,9H,3-4,6-8,17H2,(H,18,21);1H.
What are the key properties of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride has a molecular weight of 366.68 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride is sourced from PubChem (CID 119484282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).