N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide

C21H19F3N2O — CID 138976558

IUPACN-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide
SMILESCC(C)(C)N(C(=O)C(F)(F)F)c1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C21H19F3N2O/c1-20(2,3)26(19(27)21(22,23)24)18-16(14-9-5-4-6-10-14)13-15-11-7-8-12-17(15)25-18/h4-13H,1-3H3
InChIKeyFVFUSXJUMYWJBO-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.60
Rot. Bonds2

About N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide

N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide (PubChem CID 138976558) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide
PubChem CID138976558
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC NameN-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide
SMILESCC(C)(C)N(C(=O)C(F)(F)F)c1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C21H19F3N2O/c1-20(2,3)26(19(27)21(22,23)24)18-16(14-9-5-4-6-10-14)13-15-11-7-8-12-17(15)25-18/h4-13H,1-3H3
InChIKeyFVFUSXJUMYWJBO-UHFFFAOYSA-N
XLogP5.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-phenylquinoline-2-carboxamide
CID 24845781
3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid
CID 154248063
3-phenylquinolin-2-amine;hydrochloride
CID 43865994
4-hydroxy-5,5-bis(3-phenylquinolin-2-yl)pent-3-en-2-one
CID 166135028
4-(3-phenylquinolin-2-yl)butanoic acid
CID 70381801
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91677432
2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid
CID 122051472
4-(3-phenylquinolin-2-yl)butanamide
CID 70439423
2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid
CID 79269083
tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid
CID 68894786
4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline
CID 170652751
3-phenylquinoline-2,8-dicarboxylic acid
CID 15456153

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide?
The IUPAC name of N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide (CID 138976558) is N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide is CC(C)(C)N(C(=O)C(F)(F)F)c1nc2ccccc2cc1-c1ccccc1.
What is the InChIKey of N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide?
The InChIKey is FVFUSXJUMYWJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c1-20(2,3)26(19(27)21(22,23)24)18-16(14-9-5-4-6-10-14)13-15-11-7-8-12-17(15)25-18/h4-13H,1-3H3.
What are the key properties of N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide?
N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide has a molecular weight of 372.39 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2,2-trifluoro-N-(3-phenylquinolin-2-yl)acetamide is sourced from PubChem (CID 138976558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).