N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide

C23H24F6N2O5 — CID 76678070

IUPACN-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide
SMILESCC(O)CNC(=O)C(Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(OCCC(F)(F)F)cc1
InChIInChI=1S/C23H24F6N2O5/c1-14(32)13-30-21(34)19(12-15-2-6-18(7-3-15)36-23(27,28)29)31-20(33)16-4-8-17(9-5-16)35-11-10-22(24,25)26/h2-9,14,19,32H,10-13H2,1H3,(H,30,34)(H,31,33)
InChIKeyWIXCWBZCPONXME-UHFFFAOYSA-N
MW522.44 g/mol
LogP3.75
Rot. Bonds11

About N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide

N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide (PubChem CID 76678070) has the molecular formula C23H24F6N2O5 and a molecular weight of 522.44 g/mol. Its IUPAC name is N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide.

Molecular Properties

Compound NameN-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide
PubChem CID76678070
Molecular FormulaC23H24F6N2O5
Molecular Weight522.44 g/mol
Exact Mass522.16
IUPAC NameN-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide
SMILESCC(O)CNC(=O)C(Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(OCCC(F)(F)F)cc1
InChIInChI=1S/C23H24F6N2O5/c1-14(32)13-30-21(34)19(12-15-2-6-18(7-3-15)36-23(27,28)29)31-20(33)16-4-8-17(9-5-16)35-11-10-22(24,25)26/h2-9,14,19,32H,10-13H2,1H3,(H,30,34)(H,31,33)
InChIKeyWIXCWBZCPONXME-UHFFFAOYSA-N
XLogP3.75
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.44
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[(2S)-3-[4-(trifluoromethoxy)phenyl]-2-[[4-(3,3,3-trifluoropropoxy)benzoyl]amino]propanoyl]amino]acetate
CID 87697183
N-[(2S)-1-(cyanomethylamino)-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 11671928
(2S)-2-[[4-(4-fluorophenoxy)benzoyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 71422155
N-[1-[2-(4-fluorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55597798
2-[[4-(4-chlorophenoxy)benzoyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 69018610
4-[[2-[(4-butoxybenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 3075205
N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]benzamide
CID 3880826
4-tert-butyl-N-[1-(2,2-dihydroxyethylamino)-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]-1-oxopropan-2-yl]benzamide
CID 123469173
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4001085
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
N-[1-[4-[2-[4-(3,3,3-trifluoropropoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 90429515

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide?
The IUPAC name of N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide (CID 76678070) is N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide.
What is the SMILES notation for N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide?
The canonical SMILES for N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide is CC(O)CNC(=O)C(Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(OCCC(F)(F)F)cc1.
What is the InChIKey of N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide?
The InChIKey is WIXCWBZCPONXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2O5/c1-14(32)13-30-21(34)19(12-15-2-6-18(7-3-15)36-23(27,28)29)31-20(33)16-4-8-17(9-5-16)35-11-10-22(24,25)26/h2-9,14,19,32H,10-13H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide?
N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide has a molecular weight of 522.44 g/mol, XLogP of 3.75, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxypropylamino)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide is sourced from PubChem (CID 76678070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).