N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide

C24H24F6N2O — CID 87497281

IUPACN-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1ccccc1C1(N2CCC2)CCCC1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C24H24F6N2O/c25-23(26,27)17-8-9-18(20(14-17)24(28,29)30)21(33)31-15-16-6-1-2-7-19(16)22(10-3-4-11-22)32-12-5-13-32/h1-2,6-9,14H,3-5,10-13,15H2,(H,31,33)
InChIKeyHAYGKNFOSQRBIV-UHFFFAOYSA-N
MW470.46 g/mol
LogP6.13
Rot. Bonds5

About N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide

N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide (PubChem CID 87497281) has the molecular formula C24H24F6N2O and a molecular weight of 470.46 g/mol. Its IUPAC name is N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide
PubChem CID87497281
Molecular FormulaC24H24F6N2O
Molecular Weight470.46 g/mol
Exact Mass470.18
IUPAC NameN-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1ccccc1C1(N2CCC2)CCCC1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C24H24F6N2O/c25-23(26,27)17-8-9-18(20(14-17)24(28,29)30)21(33)31-15-16-6-1-2-7-19(16)22(10-3-4-11-22)32-12-5-13-32/h1-2,6-9,14H,3-5,10-13,15H2,(H,31,33)
InChIKeyHAYGKNFOSQRBIV-UHFFFAOYSA-N
XLogP6.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.46
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide (CID 87497281) is N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide is O=C(NCc1ccccc1C1(N2CCC2)CCCC1)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide?
The InChIKey is HAYGKNFOSQRBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F6N2O/c25-23(26,27)17-8-9-18(20(14-17)24(28,29)30)21(33)31-15-16-6-1-2-7-19(16)22(10-3-4-11-22)32-12-5-13-32/h1-2,6-9,14H,3-5,10-13,15H2,(H,31,33).
What are the key properties of N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide?
N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide has a molecular weight of 470.46 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 87497281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).