3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide

C20H22F3NO2 — CID 52513780

IUPAC3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide
SMILESCCC[C@@H](NC(=O)c1cccc(COC)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3NO2/c1-3-6-18(15-8-5-10-17(12-15)20(21,22)23)24-19(25)16-9-4-7-14(11-16)13-26-2/h4-5,7-12,18H,3,6,13H2,1-2H3,(H,24,25)/t18-/m1/s1
InChIKeyCJXXPQBADLECSS-GOSISDBHSA-N
MW365.40 g/mol
LogP5.12
Rot. Bonds7

About 3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide

3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide (PubChem CID 52513780) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide
PubChem CID52513780
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide
SMILESCCC[C@@H](NC(=O)c1cccc(COC)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3NO2/c1-3-6-18(15-8-5-10-17(12-15)20(21,22)23)24-19(25)16-9-4-7-14(11-16)13-26-2/h4-5,7-12,18H,3,6,13H2,1-2H3,(H,24,25)/t18-/m1/s1
InChIKeyCJXXPQBADLECSS-GOSISDBHSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide
CID 51134582
4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 52523148
1-(4-chlorophenyl)-5-(methoxymethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]pyrazole-4-carboxamide
CID 58443410
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591390
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315290
4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 55714545
3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide
CID 52514675
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide
CID 56823666
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide?
The IUPAC name of 3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide (CID 52513780) is 3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide?
The canonical SMILES for 3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide is CCC[C@@H](NC(=O)c1cccc(COC)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide?
The InChIKey is CJXXPQBADLECSS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-3-6-18(15-8-5-10-17(12-15)20(21,22)23)24-19(25)16-9-4-7-14(11-16)13-26-2/h4-5,7-12,18H,3,6,13H2,1-2H3,(H,24,25)/t18-/m1/s1.
What are the key properties of 3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide?
3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide has a molecular weight of 365.40 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide is sourced from PubChem (CID 52513780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).