N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide

C13H14BrF3N2O2 — CID 66434951

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H14BrF3N2O2/c14-11-2-1-8(5-10(11)13(15,16)17)19-12(20)6-9-7-18-3-4-21-9/h1-2,5,9,18H,3-4,6-7H2,(H,19,20)
InChIKeyZUJJYWDTQIOVRT-UHFFFAOYSA-N
MW367.17 g/mol
LogP2.78
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide (PubChem CID 66434951) has the molecular formula C13H14BrF3N2O2 and a molecular weight of 367.17 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide
PubChem CID66434951
Molecular FormulaC13H14BrF3N2O2
Molecular Weight367.17 g/mol
Exact Mass366.02
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H14BrF3N2O2/c14-11-2-1-8(5-10(11)13(15,16)17)19-12(20)6-9-7-18-3-4-21-9/h1-2,5,9,18H,3-4,6-7H2,(H,19,20)
InChIKeyZUJJYWDTQIOVRT-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-fluorophenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119706261
N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
CID 66427265
N-(3,4-dichlorophenyl)-2-morpholin-2-ylacetamide
CID 66435697
N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 103808527
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764
N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119680387
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119669231
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide
CID 66435503
N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
CID 66427683
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide
CID 66429113
N-(1H-indazol-5-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119683898

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide (CID 66434951) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide is O=C(CC1CNCCO1)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide?
The InChIKey is ZUJJYWDTQIOVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O2/c14-11-2-1-8(5-10(11)13(15,16)17)19-12(20)6-9-7-18-3-4-21-9/h1-2,5,9,18H,3-4,6-7H2,(H,19,20).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide has a molecular weight of 367.17 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66434951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).