N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C23H18F4N2O2 — CID 24532499

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESO=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H18F4N2O2/c24-18-6-1-15(2-7-18)14-29(19-8-9-19)22(30)16-3-10-20(11-4-16)31-21-12-5-17(13-28-21)23(25,26)27/h1-7,10-13,19H,8-9,14H2
InChIKeyAPOIESXQLCGRKD-UHFFFAOYSA-N
MW430.40 g/mol
LogP5.84
Rot. Bonds6

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 24532499) has the molecular formula C23H18F4N2O2 and a molecular weight of 430.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID24532499
Molecular FormulaC23H18F4N2O2
Molecular Weight430.40 g/mol
Exact Mass430.13
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESO=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H18F4N2O2/c24-18-6-1-15(2-7-18)14-29(19-8-9-19)22(30)16-3-10-20(11-4-16)31-21-12-5-17(13-28-21)23(25,26)27/h1-7,10-13,19H,8-9,14H2
InChIKeyAPOIESXQLCGRKD-UHFFFAOYSA-N
XLogP5.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.40
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-[cyclopropyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxylate
CID 172795002
N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119616797
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119458718
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 78824899
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-(hydroxymethyl)piperidine-1-carboxylate
CID 23636024
[4-(methylaminomethyl)piperidin-1-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 119546141

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 24532499) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is APOIESXQLCGRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O2/c24-18-6-1-15(2-7-18)14-29(19-8-9-19)22(30)16-3-10-20(11-4-16)31-21-12-5-17(13-28-21)23(25,26)27/h1-7,10-13,19H,8-9,14H2.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 430.40 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 24532499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).