N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide

C21H24F3NO3 — CID 55639036

IUPACN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide
SMILESCOc1cc(C(C)NC(=O)c2ccccc2C(F)(F)F)ccc1OCC(C)C
InChIInChI=1S/C21H24F3NO3/c1-13(2)12-28-18-10-9-15(11-19(18)27-4)14(3)25-20(26)16-7-5-6-8-17(16)21(22,23)24/h5-11,13-14H,12H2,1-4H3,(H,25,26)
InChIKeyUNLUTCKCPXHRJH-UHFFFAOYSA-N
MW395.42 g/mol
LogP5.24
Rot. Bonds7

About N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 55639036) has the molecular formula C21H24F3NO3 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide
PubChem CID55639036
Molecular FormulaC21H24F3NO3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC NameN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide
SMILESCOc1cc(C(C)NC(=O)c2ccccc2C(F)(F)F)ccc1OCC(C)C
InChIInChI=1S/C21H24F3NO3/c1-13(2)12-28-18-10-9-15(11-19(18)27-4)14(3)25-20(26)16-7-5-6-8-17(16)21(22,23)24/h5-11,13-14H,12H2,1-4H3,(H,25,26)
InChIKeyUNLUTCKCPXHRJH-UHFFFAOYSA-N
XLogP5.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
5-acetamido-2-fluoro-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 60567782
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
(2S)-2-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-3,3-dimethylbutanamide
CID 119732110
4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 51940490
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 46414979

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide (CID 55639036) is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide is COc1cc(C(C)NC(=O)c2ccccc2C(F)(F)F)ccc1OCC(C)C.
What is the InChIKey of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is UNLUTCKCPXHRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO3/c1-13(2)12-28-18-10-9-15(11-19(18)27-4)14(3)25-20(26)16-7-5-6-8-17(16)21(22,23)24/h5-11,13-14H,12H2,1-4H3,(H,25,26).
What are the key properties of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 395.42 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 55639036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).