N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide

C21H15F2NO3 — CID 7941261

IUPACN-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H15F2NO3/c22-21(23)26-14-11-9-13(10-12-14)24-20(25)19-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)19/h1-12,19,21H,(H,24,25)
InChIKeySOUKREHPHHXCNG-UHFFFAOYSA-N
MW367.35 g/mol
LogP5.16
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide

N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide (PubChem CID 7941261) has the molecular formula C21H15F2NO3 and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide
PubChem CID7941261
Molecular FormulaC21H15F2NO3
Molecular Weight367.35 g/mol
Exact Mass367.10
IUPAC NameN-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H15F2NO3/c22-21(23)26-14-11-9-13(10-12-14)24-20(25)19-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)19/h1-12,19,21H,(H,24,25)
InChIKeySOUKREHPHHXCNG-UHFFFAOYSA-N
XLogP5.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.35
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate
CID 71893111
N-(4-anilinophenyl)-9H-xanthene-9-carboxamide
CID 4104080
N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 743802
N-[4-(cyanomethyl)phenyl]-9H-xanthene-9-carboxamide
CID 9193770
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide
CID 46568463
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 9193847
N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide
CID 2228289
N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 742969
3-[[4-(difluoromethoxy)phenyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 6465170
N-[4-(difluoromethoxy)phenyl]-2-iodobenzamide
CID 7941252
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide (CID 7941261) is N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide?
The InChIKey is SOUKREHPHHXCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO3/c22-21(23)26-14-11-9-13(10-12-14)24-20(25)19-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)19/h1-12,19,21H,(H,24,25).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide?
N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 7941261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).