N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride

C16H25BrClN3O — CID 120902488

IUPACN-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)CN(C)CC1(C)CCNC1.Cl
InChIInChI=1S/C16H24BrN3O.ClH/c1-12-8-13(17)4-5-14(12)19-15(21)9-20(3)11-16(2)6-7-18-10-16;/h4-5,8,18H,6-7,9-11H2,1-3H3,(H,19,21);1H
InChIKeyPRWIFXSTPZWHCY-UHFFFAOYSA-N
MW390.75 g/mol
LogP3.05
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride

N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride (PubChem CID 120902488) has the molecular formula C16H25BrClN3O and a molecular weight of 390.75 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride
PubChem CID120902488
Molecular FormulaC16H25BrClN3O
Molecular Weight390.75 g/mol
Exact Mass389.09
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)CN(C)CC1(C)CCNC1.Cl
InChIInChI=1S/C16H24BrN3O.ClH/c1-12-8-13(17)4-5-14(12)19-15(21)9-20(3)11-16(2)6-7-18-10-16;/h4-5,8,18H,6-7,9-11H2,1-3H3,(H,19,21);1H
InChIKeyPRWIFXSTPZWHCY-UHFFFAOYSA-N
XLogP3.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.75
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119684871
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CID 119922743
1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 119684846
N-(4-bromo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
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2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119684877
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
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4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 31378107
N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide
CID 122157794
N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide
CID 124623598
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride (CID 120902488) is N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride is Cc1cc(Br)ccc1NC(=O)CN(C)CC1(C)CCNC1.Cl.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride?
The InChIKey is PRWIFXSTPZWHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O.ClH/c1-12-8-13(17)4-5-14(12)19-15(21)9-20(3)11-16(2)6-7-18-10-16;/h4-5,8,18H,6-7,9-11H2,1-3H3,(H,19,21);1H.
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride?
N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride has a molecular weight of 390.75 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride is sourced from PubChem (CID 120902488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).