N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide

C22H19F3N2O — CID 118121365

IUPACN-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
SMILESCc1ncccc1-c1cccc(CCNC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O/c1-15-18(9-5-12-26-15)17-7-4-6-16(14-17)11-13-27-21(28)19-8-2-3-10-20(19)22(23,24)25/h2-10,12,14H,11,13H2,1H3,(H,27,28)
InChIKeyRLKIJDKWFONWOY-UHFFFAOYSA-N
MW384.40 g/mol
LogP5.05
Rot. Bonds5

About N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide

N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 118121365) has the molecular formula C22H19F3N2O and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
PubChem CID118121365
Molecular FormulaC22H19F3N2O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC NameN-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
SMILESCc1ncccc1-c1cccc(CCNC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O/c1-15-18(9-5-12-26-15)17-7-4-6-16(14-17)11-13-27-21(28)19-8-2-3-10-20(19)22(23,24)25/h2-10,12,14H,11,13H2,1H3,(H,27,28)
InChIKeyRLKIJDKWFONWOY-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 53145112
N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 84579799
4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one
CID 82540770
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 4989152
2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63615886
2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 44602648
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide
CID 71795517
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
N-[2-[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 91285698
N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 9182422

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide (CID 118121365) is N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide is Cc1ncccc1-c1cccc(CCNC(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is RLKIJDKWFONWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O/c1-15-18(9-5-12-26-15)17-7-4-6-16(14-17)11-13-27-21(28)19-8-2-3-10-20(19)22(23,24)25/h2-10,12,14H,11,13H2,1H3,(H,27,28).
What are the key properties of N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 384.40 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 118121365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).