N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide

C21H23F3N2O3 — CID 84558640

IUPACN-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(C(O)CCN2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)17-5-1-16(2-6-17)20(28)25-18-7-3-15(4-8-18)19(27)9-10-26-11-13-29-14-12-26/h1-8,19,27H,9-14H2,(H,25,28)
InChIKeyMPIFTVBXVDKRLJ-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.71
Rot. Bonds6

About N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide

N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 84558640) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID84558640
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC NameN-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(C(O)CCN2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)17-5-1-16(2-6-17)20(28)25-18-7-3-15(4-8-18)19(27)9-10-26-11-13-29-14-12-26/h1-8,19,27H,9-14H2,(H,25,28)
InChIKeyMPIFTVBXVDKRLJ-UHFFFAOYSA-N
XLogP3.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide
CID 84559000
N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]oxolane-2-carboxamide
CID 84560052
(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 70247468
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108994837
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
CID 84558804
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42751288
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide (CID 84558640) is N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(C(O)CCN2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MPIFTVBXVDKRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c22-21(23,24)17-5-1-16(2-6-17)20(28)25-18-7-3-15(4-8-18)19(27)9-10-26-11-13-29-14-12-26/h1-8,19,27H,9-14H2,(H,25,28).
What are the key properties of N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide?
N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 408.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 84558640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).