N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide

C17H16F3NO2 — CID 28560281

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-11(12-7-9-13(23-2)10-8-12)21-16(22)14-5-3-4-6-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)/t11-/m1/s1
InChIKeyGXIWDIRMSKMWJI-LLVKDONJSA-N
MW323.31 g/mol
LogP4.20
Rot. Bonds4

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 28560281) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID28560281
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-11(12-7-9-13(23-2)10-8-12)21-16(22)14-5-3-4-6-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)/t11-/m1/s1
InChIKeyGXIWDIRMSKMWJI-LLVKDONJSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 62865993
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 55639036
N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 51187726
1-[1-(4-methoxyphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 19675841
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide (CID 28560281) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide is COc1ccc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is GXIWDIRMSKMWJI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-11(12-7-9-13(23-2)10-8-12)21-16(22)14-5-3-4-6-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 323.31 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 28560281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).