4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide

C15H18F3NO3 — CID 138026885

IUPAC4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide
SMILESO=C(NC1(CCO)CCOCC1)c1ccc(C(F)F)c(F)c1
InChIInChI=1S/C15H18F3NO3/c16-12-9-10(1-2-11(12)13(17)18)14(21)19-15(3-6-20)4-7-22-8-5-15/h1-2,9,13,20H,3-8H2,(H,19,21)
InChIKeyURYQOWNCKZBCBK-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.42
Rot. Bonds5

About 4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide

4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide (PubChem CID 138026885) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide
PubChem CID138026885
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide
SMILESO=C(NC1(CCO)CCOCC1)c1ccc(C(F)F)c(F)c1
InChIInChI=1S/C15H18F3NO3/c16-12-9-10(1-2-11(12)13(17)18)14(21)19-15(3-6-20)4-7-22-8-5-15/h1-2,9,13,20H,3-8H2,(H,19,21)
InChIKeyURYQOWNCKZBCBK-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-3-fluorobenzohydrazide
CID 178127669
2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide
CID 138053912
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide
CID 138023225
4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 119039762
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
N-[4-(chloromethyl)oxan-4-yl]-3-fluorobenzamide
CID 106300657
N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103954059
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
3-chloro-N-[4-(chloromethyl)oxan-4-yl]-4-iodobenzamide
CID 106300373
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
N-[4-(bromomethyl)oxan-4-yl]-4-chlorobenzamide
CID 106300976

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide?
The IUPAC name of 4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide (CID 138026885) is 4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide.
What is the SMILES notation for 4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide?
The canonical SMILES for 4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide is O=C(NC1(CCO)CCOCC1)c1ccc(C(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide?
The InChIKey is URYQOWNCKZBCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c16-12-9-10(1-2-11(12)13(17)18)14(21)19-15(3-6-20)4-7-22-8-5-15/h1-2,9,13,20H,3-8H2,(H,19,21).
What are the key properties of 4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide?
4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide has a molecular weight of 317.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide is sourced from PubChem (CID 138026885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).