N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride

C13H18BrClN2O2 — CID 90485324

IUPACN-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCOCC2)cc1Br.Cl
InChIInChI=1S/C13H17BrN2O2.ClH/c1-10-2-3-11(8-12(10)14)15-13(17)9-16-4-6-18-7-5-16;/h2-3,8H,4-7,9H2,1H3,(H,15,17);1H
InChIKeyGRGCVOJQHNXJML-UHFFFAOYSA-N
MW349.66 g/mol
LogP2.45
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride

N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride (PubChem CID 90485324) has the molecular formula C13H18BrClN2O2 and a molecular weight of 349.66 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
PubChem CID90485324
Molecular FormulaC13H18BrClN2O2
Molecular Weight349.66 g/mol
Exact Mass348.02
IUPAC NameN-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCOCC2)cc1Br.Cl
InChIInChI=1S/C13H17BrN2O2.ClH/c1-10-2-3-11(8-12(10)14)15-13(17)9-16-4-6-18-7-5-16;/h2-3,8H,4-7,9H2,1H3,(H,15,17);1H
InChIKeyGRGCVOJQHNXJML-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 171668945
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899342
2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide
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CID 8901793
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride
CID 21438204
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CID 90485277
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CID 39420305
(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305089
3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
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N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride (CID 90485324) is N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride is Cc1ccc(NC(=O)CN2CCOCC2)cc1Br.Cl.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride?
The InChIKey is GRGCVOJQHNXJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2.ClH/c1-10-2-3-11(8-12(10)14)15-13(17)9-16-4-6-18-7-5-16;/h2-3,8H,4-7,9H2,1H3,(H,15,17);1H.
What are the key properties of N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride?
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride has a molecular weight of 349.66 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 90485324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).