N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

C24H25F3N2O3 — CID 3345388

IUPACN-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NC(CO)C(=O)NC1CC2CCC1C2)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H25F3N2O3/c25-24(26,27)19-9-7-16(8-10-19)15-3-5-17(6-4-15)22(31)29-21(13-30)23(32)28-20-12-14-1-2-18(20)11-14/h3-10,14,18,20-21,30H,1-2,11-13H2,(H,28,32)(H,29,31)
InChIKeyUSJZSDGMRGYVOS-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.77
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 3345388) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID3345388
Molecular FormulaC24H25F3N2O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NC(CO)C(=O)NC1CC2CCC1C2)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H25F3N2O3/c25-24(26,27)19-9-7-16(8-10-19)15-3-5-17(6-4-15)22(31)29-21(13-30)23(32)28-20-12-14-1-2-18(20)11-14/h3-10,14,18,20-21,30H,1-2,11-13H2,(H,28,32)(H,29,31)
InChIKeyUSJZSDGMRGYVOS-UHFFFAOYSA-N
XLogP3.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 3345388) is N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is O=C(NC(CO)C(=O)NC1CC2CCC1C2)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is USJZSDGMRGYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3/c25-24(26,27)19-9-7-16(8-10-19)15-3-5-17(6-4-15)22(31)29-21(13-30)23(32)28-20-12-14-1-2-18(20)11-14/h3-10,14,18,20-21,30H,1-2,11-13H2,(H,28,32)(H,29,31).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 446.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3345388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).