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

C13H17BrN2O2 — CID 66427265

IUPACN-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
SMILESCc1ccc(NC(=O)CC2CNCCO2)cc1Br
InChIInChI=1S/C13H17BrN2O2/c1-9-2-3-10(6-12(9)14)16-13(17)7-11-8-15-4-5-18-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyYVJDVUBPIOPEIN-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.07
Rot. Bonds3

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

N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide (PubChem CID 66427265) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
PubChem CID66427265
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
SMILESCc1ccc(NC(=O)CC2CNCCO2)cc1Br
InChIInChI=1S/C13H17BrN2O2/c1-9-2-3-10(6-12(9)14)16-13(17)7-11-8-15-4-5-18-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyYVJDVUBPIOPEIN-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119680387
N-(4-bromo-3-fluorophenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119706261
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide
CID 66434951
N-(3,4-dichlorophenyl)-2-morpholin-2-ylacetamide
CID 66435697
N-(2-methyl-4-pyridinyl)-2-morpholin-2-ylacetamide
CID 79241107
N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide
CID 66428523
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119669231
N-(5-methyl-3-pyridinyl)-2-morpholin-2-ylacetamide;dihydrochloride
CID 119884723
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
2-methyl-N-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119685269
N-[4-(diethylamino)phenyl]-2-morpholin-2-ylacetamide
CID 66434949
2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide
CID 66429113

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide (CID 66427265) is N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide is Cc1ccc(NC(=O)CC2CNCCO2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide?
The InChIKey is YVJDVUBPIOPEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-9-2-3-10(6-12(9)14)16-13(17)7-11-8-15-4-5-18-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide?
N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide has a molecular weight of 313.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66427265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).