4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide

C19H18F3NO4 — CID 4795558

IUPAC4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H18F3NO4/c20-19(21,22)27-16-9-5-14(6-10-16)23-18(24)13-3-7-15(8-4-13)26-12-17-2-1-11-25-17/h3-10,17H,1-2,11-12H2,(H,23,24)
InChIKeyOXEVTCGUFJXDCH-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.40
Rot. Bonds6

About 4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide

4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 4795558) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID4795558
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H18F3NO4/c20-19(21,22)27-16-9-5-14(6-10-16)23-18(24)13-3-7-15(8-4-13)26-12-17-2-1-11-25-17/h3-10,17H,1-2,11-12H2,(H,23,24)
InChIKeyOXEVTCGUFJXDCH-UHFFFAOYSA-N
XLogP4.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
4-(oxolan-2-ylmethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 16580872
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43011380
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 4795558) is 4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is OXEVTCGUFJXDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c20-19(21,22)27-16-9-5-14(6-10-16)23-18(24)13-3-7-15(8-4-13)26-12-17-2-1-11-25-17/h3-10,17H,1-2,11-12H2,(H,23,24).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 381.35 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 4795558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).