N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide

C19H19F3N2O3 — CID 42456370

IUPACN-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19F3N2O3/c1-24(2)15(13-5-8-16-17(9-13)27-11-26-16)10-23-18(25)12-3-6-14(7-4-12)19(20,21)22/h3-9,15H,10-11H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyVEKYUJDIOXRSTQ-HNNXBMFYSA-N
MW380.37 g/mol
LogP3.47
Rot. Bonds5

About N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide

N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 42456370) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID42456370
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19F3N2O3/c1-24(2)15(13-5-8-16-17(9-13)27-11-26-16)10-23-18(25)12-3-6-14(7-4-12)19(20,21)22/h3-9,15H,10-11H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyVEKYUJDIOXRSTQ-HNNXBMFYSA-N
XLogP3.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3,4-dichlorobenzamide
CID 110287451
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3,4-dimethoxybenzamide
CID 42456106
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 43956057
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 42455962
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3-tert-butyl-5-methyl-1,2-oxazole-4-carboxamide
CID 110427593
1-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3-(2-methoxyethyl)urea
CID 110306573
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide
CID 51498846
N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 110752701
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide
CID 110287448
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 51498894
3-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propanoic acid
CID 64528353

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide (CID 42456370) is N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide is CN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is VEKYUJDIOXRSTQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-24(2)15(13-5-8-16-17(9-13)27-11-26-16)10-23-18(25)12-3-6-14(7-4-12)19(20,21)22/h3-9,15H,10-11H2,1-2H3,(H,23,25)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide?
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 380.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42456370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).