N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride

C16H25BrClN3O2 — CID 119658376

IUPACN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CNC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C16H24BrN3O2.ClH/c1-11(2)14(18)7-8-20(3)15(21)10-19-16(22)12-5-4-6-13(17)9-12;/h4-6,9,11,14H,7-8,10,18H2,1-3H3,(H,19,22);1H
InChIKeyPQUQRMJMJIXHEH-UHFFFAOYSA-N
MW406.75 g/mol
LogP2.43
Rot. Bonds7

About N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride

N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride (PubChem CID 119658376) has the molecular formula C16H25BrClN3O2 and a molecular weight of 406.75 g/mol. Its IUPAC name is N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
PubChem CID119658376
Molecular FormulaC16H25BrClN3O2
Molecular Weight406.75 g/mol
Exact Mass405.08
IUPAC NameN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CNC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C16H24BrN3O2.ClH/c1-11(2)14(18)7-8-20(3)15(21)10-19-16(22)12-5-4-6-13(17)9-12;/h4-6,9,11,14H,7-8,10,18H2,1-3H3,(H,19,22);1H
InChIKeyPQUQRMJMJIXHEH-UHFFFAOYSA-N
XLogP2.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.75
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119658374
3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide
CID 52599948
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 51161234
N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
CID 119660112
N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide
CID 119659582
3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18117344
3-bromo-N-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 26619302
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 51193380
N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
CID 119661346
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride?
The IUPAC name of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride (CID 119658376) is N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride?
The canonical SMILES for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CNC(=O)c1cccc(Br)c1.Cl.
What is the InChIKey of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride?
The InChIKey is PQUQRMJMJIXHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2.ClH/c1-11(2)14(18)7-8-20(3)15(21)10-19-16(22)12-5-4-6-13(17)9-12;/h4-6,9,11,14H,7-8,10,18H2,1-3H3,(H,19,22);1H.
What are the key properties of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride?
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride has a molecular weight of 406.75 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride is sourced from PubChem (CID 119658376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).