3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride

C16H24BrClN2O — CID 119535206

IUPAC3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
SMILESCc1cc(CCC(=O)NCCC2CCNC2)ccc1Br.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-12-10-13(2-4-15(12)17)3-5-16(20)19-9-7-14-6-8-18-11-14;/h2,4,10,14,18H,3,5-9,11H2,1H3,(H,19,20);1H
InChIKeyMPLVKFOHZHMDGL-UHFFFAOYSA-N
MW375.74 g/mol
LogP3.23
Rot. Bonds6

About 3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride

3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride (PubChem CID 119535206) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
PubChem CID119535206
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC Name3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
SMILESCc1cc(CCC(=O)NCCC2CCNC2)ccc1Br.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-12-10-13(2-4-15(12)17)3-5-16(20)19-9-7-14-6-8-18-11-14;/h2,4,10,14,18H,3,5-9,11H2,1H3,(H,19,20);1H
InChIKeyMPLVKFOHZHMDGL-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534078
3-(2,4-dimethylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534079
3-(4-propoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119536345
3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119501581
4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119538281
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
4-[3-(4-bromo-3-methylphenyl)propanoylamino]butanoic acid
CID 167842148
3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534778
N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119537103
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
3-(4-methoxyphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 60902718

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride (CID 119535206) is 3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride is Cc1cc(CCC(=O)NCCC2CCNC2)ccc1Br.Cl.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The InChIKey is MPLVKFOHZHMDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c1-12-10-13(2-4-15(12)17)3-5-16(20)19-9-7-14-6-8-18-11-14;/h2,4,10,14,18H,3,5-9,11H2,1H3,(H,19,20);1H.
What are the key properties of 3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119535206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).