N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide

C25H22N2O3 — CID 55538263

IUPACN-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H22N2O3/c28-24(26-18-13-11-17(12-14-18)25(29)27-15-5-6-16-27)23-19-7-1-3-9-21(19)30-22-10-4-2-8-20(22)23/h1-4,7-14,23H,5-6,15-16H2,(H,26,28)
InChIKeyIMJSKPTYHZXUSZ-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.80
Rot. Bonds3

About N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide

N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide (PubChem CID 55538263) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide
PubChem CID55538263
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H22N2O3/c28-24(26-18-13-11-17(12-14-18)25(29)27-15-5-6-16-27)23-19-7-1-3-9-21(19)30-22-10-4-2-8-20(22)23/h1-4,7-14,23H,5-6,15-16H2,(H,26,28)
InChIKeyIMJSKPTYHZXUSZ-UHFFFAOYSA-N
XLogP4.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide
CID 46540225
N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 743802
N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide
CID 46568463
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
(2R,3R)-3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27520191
3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17374583
azepan-1-yl-(4-hydrazinylphenyl)methanone
CID 62249723

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide (CID 55538263) is N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide?
The InChIKey is IMJSKPTYHZXUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-24(26-18-13-11-17(12-14-18)25(29)27-15-5-6-16-27)23-19-7-1-3-9-21(19)30-22-10-4-2-8-20(22)23/h1-4,7-14,23H,5-6,15-16H2,(H,26,28).
What are the key properties of N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide?
N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 55538263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).