N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide

C20H22F3NO3 — CID 7936459

IUPACN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC
InChIInChI=1S/C20H22F3NO3/c1-4-26-17-10-9-14(12-18(17)27-5-2)13(3)24-19(25)15-7-6-8-16(11-15)20(21,22)23/h6-13H,4-5H2,1-3H3,(H,24,25)/t13-/m1/s1
InChIKeyURKIESDLGNGCEA-CYBMUJFWSA-N
MW381.39 g/mol
LogP4.99
Rot. Bonds7

About N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 7936459) has the molecular formula C20H22F3NO3 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID7936459
Molecular FormulaC20H22F3NO3
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC NameN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC
InChIInChI=1S/C20H22F3NO3/c1-4-26-17-10-9-14(12-18(17)27-5-2)13(3)24-19(25)15-7-6-8-16(11-15)20(21,22)23/h6-13H,4-5H2,1-3H3,(H,24,25)/t13-/m1/s1
InChIKeyURKIESDLGNGCEA-CYBMUJFWSA-N
XLogP4.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 78808076
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 43079375
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771810

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide (CID 7936459) is N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide is CCOc1ccc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC.
What is the InChIKey of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is URKIESDLGNGCEA-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22F3NO3/c1-4-26-17-10-9-14(12-18(17)27-5-2)13(3)24-19(25)15-7-6-8-16(11-15)20(21,22)23/h6-13H,4-5H2,1-3H3,(H,24,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide?
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 381.39 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 7936459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).