N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide

C22H21F3N2O — CID 8701479

IUPACN-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H21F3N2O/c1-27(2)20(19-9-5-7-15-6-3-4-8-18(15)19)14-26-21(28)16-10-12-17(13-11-16)22(23,24)25/h3-13,20H,14H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKeyFHMFHQBUKBHIFM-HXUWFJFHSA-N
MW386.42 g/mol
LogP4.89
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide

N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide (PubChem CID 8701479) has the molecular formula C22H21F3N2O and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide
PubChem CID8701479
Molecular FormulaC22H21F3N2O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H21F3N2O/c1-27(2)20(19-9-5-7-15-6-3-4-8-18(15)19)14-26-21(28)16-10-12-17(13-11-16)22(23,24)25/h3-13,20H,14H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKeyFHMFHQBUKBHIFM-HXUWFJFHSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide
CID 18589070
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 41453878
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 43956057
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium
CID 2408731
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 43001663
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide (CID 8701479) is N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide is CN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is FHMFHQBUKBHIFM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21F3N2O/c1-27(2)20(19-9-5-7-15-6-3-4-8-18(15)19)14-26-21(28)16-10-12-17(13-11-16)22(23,24)25/h3-13,20H,14H2,1-2H3,(H,26,28)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide?
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 386.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 8701479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).