N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide

C20H22F3NO2 — CID 51391487

IUPACN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cccc(COCC(F)(F)F)c2)c(C)c1
InChIInChI=1S/C20H22F3NO2/c1-13-7-8-18(14(2)9-13)15(3)24-19(25)17-6-4-5-16(10-17)11-26-12-20(21,22)23/h4-10,15H,11-12H2,1-3H3,(H,24,25)/t15-/m1/s1
InChIKeyDEAQMKJGOGQDGB-OAHLLOKOSA-N
MW365.40 g/mol
LogP4.87
Rot. Bonds6

About N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 51391487) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID51391487
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cccc(COCC(F)(F)F)c2)c(C)c1
InChIInChI=1S/C20H22F3NO2/c1-13-7-8-18(14(2)9-13)15(3)24-19(25)17-6-4-5-16(10-17)11-26-12-20(21,22)23/h4-10,15H,11-12H2,1-3H3,(H,24,25)/t15-/m1/s1
InChIKeyDEAQMKJGOGQDGB-OAHLLOKOSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 61067503
3-methyl-N-[3-methyl-1-oxo-1-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 46699905
N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide
CID 17327781
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 92676500
N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17327516
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26371719
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
CID 28566302
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 81457779
1-[1-(2,5-dimethylphenyl)ethyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 55770303
N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 4775827
N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651775

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide (CID 51391487) is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide is Cc1ccc([C@@H](C)NC(=O)c2cccc(COCC(F)(F)F)c2)c(C)c1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is DEAQMKJGOGQDGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-13-7-8-18(14(2)9-13)15(3)24-19(25)17-6-4-5-16(10-17)11-26-12-20(21,22)23/h4-10,15H,11-12H2,1-3H3,(H,24,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 365.40 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 51391487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).