3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide

C19H16F2N2O2 — CID 75392620

IUPAC3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide
SMILESN#Cc1cccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)c1
InChIInChI=1S/C19H16F2N2O2/c20-15-4-5-16(17(21)11-15)19(6-8-25-9-7-19)23-18(24)14-3-1-2-13(10-14)12-22/h1-5,10-11H,6-9H2,(H,23,24)
InChIKeyMRCMAFSHDJSBTO-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.27
Rot. Bonds3

About 3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide

3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide (PubChem CID 75392620) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide
PubChem CID75392620
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide
SMILESN#Cc1cccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)c1
InChIInChI=1S/C19H16F2N2O2/c20-15-4-5-16(17(21)11-15)19(6-8-25-9-7-19)23-18(24)14-3-1-2-13(10-14)12-22/h1-5,10-11H,6-9H2,(H,23,24)
InChIKeyMRCMAFSHDJSBTO-UHFFFAOYSA-N
XLogP3.27
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide
CID 136534009
3-[[4-(3-cyanophenyl)oxan-4-yl]carbamoyl]benzoic acid
CID 154788901
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 75393612
(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide
CID 97248230
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75393613
N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 97083131
N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide
CID 43090996
3-cyano-N-(1-methylcyclobutyl)benzamide
CID 115766115
3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 103600288
N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide
CID 99589250
1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea
CID 126785654
2-[3-[[4-(2,4-difluorophenyl)oxan-4-yl]amino]-3-oxopropyl]benzoic acid
CID 120551325

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide?
The IUPAC name of 3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide (CID 75392620) is 3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide?
The canonical SMILES for 3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide is N#Cc1cccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)c1.
What is the InChIKey of 3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide?
The InChIKey is MRCMAFSHDJSBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c20-15-4-5-16(17(21)11-15)19(6-8-25-9-7-19)23-18(24)14-3-1-2-13(10-14)12-22/h1-5,10-11H,6-9H2,(H,23,24).
What are the key properties of 3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide?
3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide has a molecular weight of 342.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide is sourced from PubChem (CID 75392620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).