N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide

C18H14F6N2O — CID 122246902

IUPACN-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1cncc(C2CC2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H14F6N2O/c19-17(20,21)14-4-12(5-15(6-14)18(22,23)24)16(27)26-8-10-3-13(9-25-7-10)11-1-2-11/h3-7,9,11H,1-2,8H2,(H,26,27)
InChIKeyOMFFSNZDGORTDQ-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.93
Rot. Bonds4

About N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide

N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 122246902) has the molecular formula C18H14F6N2O and a molecular weight of 388.31 g/mol. Its IUPAC name is N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID122246902
Molecular FormulaC18H14F6N2O
Molecular Weight388.31 g/mol
Exact Mass388.10
IUPAC NameN-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1cncc(C2CC2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H14F6N2O/c19-17(20,21)14-4-12(5-15(6-14)18(22,23)24)16(27)26-8-10-3-13(9-25-7-10)11-1-2-11/h3-7,9,11H,1-2,8H2,(H,26,27)
InChIKeyOMFFSNZDGORTDQ-UHFFFAOYSA-N
XLogP4.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[(5-cyclopropyl-3-pyridinyl)methyl]urea
CID 122162869
N-[(5-cyclopropyl-3-pyridinyl)methyl]-2-(3,4-difluorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide
CID 68947407
2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide
CID 122246847
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 31136944
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 122246918
(2R)-N-[(5-cyclopropyl-1-hydroxypyridin-1-ium-3-yl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide;(2R)-N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide;methane
CID 161105291
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121196018
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 30295463
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 108759301
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 165436239

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide (CID 122246902) is N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NCc1cncc(C2CC2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is OMFFSNZDGORTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N2O/c19-17(20,21)14-4-12(5-15(6-14)18(22,23)24)16(27)26-8-10-3-13(9-25-7-10)11-1-2-11/h3-7,9,11H,1-2,8H2,(H,26,27).
What are the key properties of N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide?
N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 388.31 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 122246902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).