3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C18H19F3N2O — CID 37354866

IUPAC3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O/c1-12(13-7-9-15(10-8-13)18(19,20)21)22-17(24)14-5-4-6-16(11-14)23(2)3/h4-12H,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyYOJGMPOQRVDTGB-GFCCVEGCSA-N
MW336.36 g/mol
LogP4.26
Rot. Bonds4

About 3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 37354866) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID37354866
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O/c1-12(13-7-9-15(10-8-13)18(19,20)21)22-17(24)14-5-4-6-16(11-14)23(2)3/h4-12H,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyYOJGMPOQRVDTGB-GFCCVEGCSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888
3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46449027
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91760968
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(dimethylamino)benzamide
CID 51177608
N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51940025
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 43062333
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 37354271
3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787497
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 37354866) is 3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide is C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is YOJGMPOQRVDTGB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-12(13-7-9-15(10-8-13)18(19,20)21)22-17(24)14-5-4-6-16(11-14)23(2)3/h4-12H,1-3H3,(H,22,24)/t12-/m1/s1.
What are the key properties of 3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 336.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 37354866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).