N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C13H10BrF3N2O2 — CID 103208586

IUPACN-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C13H10BrF3N2O2/c14-9-4-8-2-1-3-10(12(8)18-5-9)19-11(20)6-21-7-13(15,16)17/h1-5H,6-7H2,(H,19,20)
InChIKeyZYMJIVLSAFKNBR-UHFFFAOYSA-N
MW363.13 g/mol
LogP3.51
Rot. Bonds4

About N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103208586) has the molecular formula C13H10BrF3N2O2 and a molecular weight of 363.13 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103208586
Molecular FormulaC13H10BrF3N2O2
Molecular Weight363.13 g/mol
Exact Mass361.99
IUPAC NameN-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C13H10BrF3N2O2/c14-9-4-8-2-1-3-10(12(8)18-5-9)19-11(20)6-21-7-13(15,16)17/h1-5H,6-7H2,(H,19,20)
InChIKeyZYMJIVLSAFKNBR-UHFFFAOYSA-N
XLogP3.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103819467
N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 116784420
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378
2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
CID 116784341
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide
CID 116782974
N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide
CID 116784723
N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113368783
4-bromo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103205874
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
N-(3-bromoquinolin-8-yl)-2-hydroxybenzamide
CID 116784757

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103208586) is N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ZYMJIVLSAFKNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O2/c14-9-4-8-2-1-3-10(12(8)18-5-9)19-11(20)6-21-7-13(15,16)17/h1-5H,6-7H2,(H,19,20).
What are the key properties of N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 363.13 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103208586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).