2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride

C15H22BrClN2O2 — CID 120945906

IUPAC2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(C(=O)NCC1CNCC1O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-15(2,11-3-5-12(16)6-4-11)14(20)18-8-10-7-17-9-13(10)19;/h3-6,10,13,17,19H,7-9H2,1-2H3,(H,18,20);1H
InChIKeyYZFNJFRCRKIXNY-UHFFFAOYSA-N
MW377.71 g/mol
LogP1.85
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride

2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride (PubChem CID 120945906) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride
PubChem CID120945906
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(C(=O)NCC1CNCC1O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-15(2,11-3-5-12(16)6-4-11)14(20)18-8-10-7-17-9-13(10)19;/h3-6,10,13,17,19H,7-9H2,1-2H3,(H,18,20);1H
InChIKeyYZFNJFRCRKIXNY-UHFFFAOYSA-N
XLogP1.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride (CID 120945906) is 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride is CC(C)(C(=O)NCC1CNCC1O)c1ccc(Br)cc1.Cl.
What is the InChIKey of 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride?
The InChIKey is YZFNJFRCRKIXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-15(2,11-3-5-12(16)6-4-11)14(20)18-8-10-7-17-9-13(10)19;/h3-6,10,13,17,19H,7-9H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride?
2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 120945906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).