N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide

C21H13ClF3NO2 — CID 3949340

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H13ClF3NO2/c22-16-10-9-12(11-15(16)21(23,24)25)26-20(27)19-13-5-1-3-7-17(13)28-18-8-4-2-6-14(18)19/h1-11,19H,(H,26,27)
InChIKeyXBMFCWYYYPKWQK-UHFFFAOYSA-N
MW403.79 g/mol
LogP6.24
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide (PubChem CID 3949340) has the molecular formula C21H13ClF3NO2 and a molecular weight of 403.79 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide
PubChem CID3949340
Molecular FormulaC21H13ClF3NO2
Molecular Weight403.79 g/mol
Exact Mass403.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H13ClF3NO2/c22-16-10-9-12(11-15(16)21(23,24)25)26-20(27)19-13-5-1-3-7-17(13)28-18-8-4-2-6-14(18)19/h1-11,19H,(H,26,27)
InChIKeyXBMFCWYYYPKWQK-UHFFFAOYSA-N
XLogP6.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.79
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-phenyl-1-(trifluoromethyl)urea
CID 154269683
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267349
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 727661
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108515782
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-9H-xanthene-9-carboxamide
CID 43952401
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]thiourea
CID 4763346
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108507995

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide (CID 3949340) is N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide?
The InChIKey is XBMFCWYYYPKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3NO2/c22-16-10-9-12(11-15(16)21(23,24)25)26-20(27)19-13-5-1-3-7-17(13)28-18-8-4-2-6-14(18)19/h1-11,19H,(H,26,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide has a molecular weight of 403.79 g/mol, XLogP of 6.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 3949340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).