N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide

C26H19NO3 — CID 4158709

IUPACN-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H19NO3/c28-26(27-21-14-6-9-17-24(21)29-18-10-2-1-3-11-18)25-19-12-4-7-15-22(19)30-23-16-8-5-13-20(23)25/h1-17,25H,(H,27,28)
InChIKeyLTWZZFQHWCGQKS-UHFFFAOYSA-N
MW393.44 g/mol
LogP6.36
Rot. Bonds4

About N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide

N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide (PubChem CID 4158709) has the molecular formula C26H19NO3 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide
PubChem CID4158709
Molecular FormulaC26H19NO3
Molecular Weight393.44 g/mol
Exact Mass393.14
IUPAC NameN-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H19NO3/c28-26(27-21-14-6-9-17-24(21)29-18-10-2-1-3-11-18)25-19-12-4-7-15-22(19)30-23-16-8-5-13-20(23)25/h1-17,25H,(H,27,28)
InChIKeyLTWZZFQHWCGQKS-UHFFFAOYSA-N
XLogP6.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate
CID 71893111
(2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide
CID 6941294
1-N-methyl-2-N-(2-phenoxyphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141291
N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide
CID 7941261
N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide
CID 2987222
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
N-(2-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 43185178
N-(2-phenoxyphenyl)piperidine-2-carboxamide
CID 18071902
(2R)-5-methylsulfonyl-N-(2-phenoxyphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 38099517
2-oxo-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 110682205
1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110426937

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide (CID 4158709) is N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide?
The InChIKey is LTWZZFQHWCGQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO3/c28-26(27-21-14-6-9-17-24(21)29-18-10-2-1-3-11-18)25-19-12-4-7-15-22(19)30-23-16-8-5-13-20(23)25/h1-17,25H,(H,27,28).
What are the key properties of N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide?
N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 4158709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).