N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

C22H18F3NO2 — CID 143544149

IUPACN-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc2c1C=CC(C1CC1)C2=O
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)15-8-4-13(5-9-15)12-20(27)26-19-3-1-2-18-17(19)11-10-16(21(18)28)14-6-7-14/h1-5,8-11,14,16H,6-7,12H2,(H,26,27)
InChIKeyPFSCUDXMCBVCHC-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.12
Rot. Bonds4

About N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 143544149) has the molecular formula C22H18F3NO2 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID143544149
Molecular FormulaC22H18F3NO2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC NameN-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc2c1C=CC(C1CC1)C2=O
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)15-8-4-13(5-9-15)12-20(27)26-19-3-1-2-18-17(19)11-10-16(21(18)28)14-6-7-14/h1-5,8-11,14,16H,6-7,12H2,(H,26,27)
InChIKeyPFSCUDXMCBVCHC-UHFFFAOYSA-N
XLogP5.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 162546626
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25299245
N-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114868
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2-[4-(trifluoromethyl)phenyl]acetic acid
CID 159954292
N-(3-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55462625
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 119099848
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90625995
N-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 23579193
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
N-(5-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534714
N-cyclopropyl-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 24535194
N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 59666253

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 143544149) is N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc2c1C=CC(C1CC1)C2=O.
What is the InChIKey of N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PFSCUDXMCBVCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO2/c23-22(24,25)15-8-4-13(5-9-15)12-20(27)26-19-3-1-2-18-17(19)11-10-16(21(18)28)14-6-7-14/h1-5,8-11,14,16H,6-7,12H2,(H,26,27).
What are the key properties of N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 385.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropyl-5-oxo-6H-naphthalen-1-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 143544149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).