N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide

C24H20N2O3 — CID 46568463

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1)C1CC1
InChIInChI=1S/C24H20N2O3/c27-23(15-12-13-15)25-16-6-5-7-17(14-16)26-24(28)22-18-8-1-3-10-20(18)29-21-11-4-2-9-19(21)22/h1-11,14-15,22H,12-13H2,(H,25,27)(H,26,28)
InChIKeyZDDMELMTGKKJCL-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.91
Rot. Bonds4

About N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide

N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide (PubChem CID 46568463) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide
PubChem CID46568463
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1)C1CC1
InChIInChI=1S/C24H20N2O3/c27-23(15-12-13-15)25-16-6-5-7-17(14-16)26-24(28)22-18-8-1-3-10-20(18)29-21-11-4-2-9-19(21)22/h1-11,14-15,22H,12-13H2,(H,25,27)(H,26,28)
InChIKeyZDDMELMTGKKJCL-UHFFFAOYSA-N
XLogP4.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
ethyl 3-(9H-xanthene-9-carbonylamino)benzoate
CID 1344960
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 45365632
N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide
CID 55538263
N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 743802
N-(3-formamidophenyl)cyclopropanecarboxamide
CID 64991224
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-(thiane-4-carbonylamino)phenyl]thiane-4-carboxamide
CID 171577086
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide (CID 46568463) is N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide is O=C(Nc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1)C1CC1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide?
The InChIKey is ZDDMELMTGKKJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-23(15-12-13-15)25-16-6-5-7-17(14-16)26-24(28)22-18-8-1-3-10-20(18)29-21-11-4-2-9-19(21)22/h1-11,14-15,22H,12-13H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 46568463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).