N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride

C15H21BrClN3O3 — CID 119684877

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C15H20BrN3O3.ClH/c1-10-7-11(16)3-4-12(10)18-14(20)9-19(2)15(21)13-8-17-5-6-22-13;/h3-4,7,13,17H,5-6,8-9H2,1-2H3,(H,18,20);1H
InChIKeyJGSGEPWQUHLKFX-UHFFFAOYSA-N
MW406.71 g/mol
LogP1.56
Rot. Bonds4

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride (PubChem CID 119684877) has the molecular formula C15H21BrClN3O3 and a molecular weight of 406.71 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
PubChem CID119684877
Molecular FormulaC15H21BrClN3O3
Molecular Weight406.71 g/mol
Exact Mass405.05
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C15H20BrN3O3.ClH/c1-10-7-11(16)3-4-12(10)18-14(20)9-19(2)15(21)13-8-17-5-6-22-13;/h3-4,7,13,17H,5-6,8-9H2,1-2H3,(H,18,20);1H
InChIKeyJGSGEPWQUHLKFX-UHFFFAOYSA-N
XLogP1.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.71
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119684849
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974436
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119684871
N-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46531936
cis-(1S,2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 97339413
1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 119684846
N-(4-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671690
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119681071
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride (CID 119684877) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1CNCCO1.Cl.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
The InChIKey is JGSGEPWQUHLKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3.ClH/c1-10-7-11(16)3-4-12(10)18-14(20)9-19(2)15(21)13-8-17-5-6-22-13;/h3-4,7,13,17H,5-6,8-9H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride has a molecular weight of 406.71 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119684877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).