3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride

C14H19BrClN3O3 — CID 120946950

IUPAC3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride
SMILESCl.O=C(CNC(=O)c1cccc(Br)c1)NCC1CNCC1O
InChIInChI=1S/C14H18BrN3O3.ClH/c15-11-3-1-2-9(4-11)14(21)18-8-13(20)17-6-10-5-16-7-12(10)19;/h1-4,10,12,16,19H,5-8H2,(H,17,20)(H,18,21);1H
InChIKeyPLPISOQRJBPPRG-UHFFFAOYSA-N
MW392.68 g/mol
LogP0.30
Rot. Bonds5

About 3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride

3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 120946950) has the molecular formula C14H19BrClN3O3 and a molecular weight of 392.68 g/mol. Its IUPAC name is 3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride
PubChem CID120946950
Molecular FormulaC14H19BrClN3O3
Molecular Weight392.68 g/mol
Exact Mass391.03
IUPAC Name3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride
SMILESCl.O=C(CNC(=O)c1cccc(Br)c1)NCC1CNCC1O
InChIInChI=1S/C14H18BrN3O3.ClH/c15-11-3-1-2-9(4-11)14(21)18-8-13(20)17-6-10-5-16-7-12(10)19;/h1-4,10,12,16,19H,5-8H2,(H,17,20)(H,18,21);1H
InChIKeyPLPISOQRJBPPRG-UHFFFAOYSA-N
XLogP0.30
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120945188
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 120946250
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120943789
2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120946157
3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
CID 115613542
N-[2-(3-aminopropylamino)-2-oxoethyl]-3-bromobenzamide
CID 119405892
3-bromo-N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]benzamide
CID 106671871
3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120831532

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of 3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride (CID 120946950) is 3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for 3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride is Cl.O=C(CNC(=O)c1cccc(Br)c1)NCC1CNCC1O.
What is the InChIKey of 3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is PLPISOQRJBPPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3.ClH/c15-11-3-1-2-9(4-11)14(21)18-8-13(20)17-6-10-5-16-7-12(10)19;/h1-4,10,12,16,19H,5-8H2,(H,17,20)(H,18,21);1H.
What are the key properties of 3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride?
3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 392.68 g/mol, XLogP of 0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 120946950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).