7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

C21H15ClF2N2O2 — CID 174399757

IUPAC7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(Cl)cc1n2Cc1ccccc1OC(F)F
InChIInChI=1S/C21H15ClF2N2O2/c22-13-8-9-14-17(10-13)26(16-6-3-5-15(19(14)16)20(25)27)11-12-4-1-2-7-18(12)28-21(23)24/h1-10,21H,11H2,(H2,25,27)
InChIKeyZOYLXQISNWBIQH-UHFFFAOYSA-N
MW400.81 g/mol
LogP5.20
Rot. Bonds5

About 7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174399757) has the molecular formula C21H15ClF2N2O2 and a molecular weight of 400.81 g/mol. Its IUPAC name is 7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174399757
Molecular FormulaC21H15ClF2N2O2
Molecular Weight400.81 g/mol
Exact Mass400.08
IUPAC Name7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(Cl)cc1n2Cc1ccccc1OC(F)F
InChIInChI=1S/C21H15ClF2N2O2/c22-13-8-9-14-17(10-13)26(16-6-3-5-15(19(14)16)20(25)27)11-12-4-1-2-7-18(12)28-21(23)24/h1-10,21H,11H2,(H2,25,27)
InChIKeyZOYLXQISNWBIQH-UHFFFAOYSA-N
XLogP5.20
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.81
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (CID 174399757) is 7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(Cl)cc1n2Cc1ccccc1OC(F)F.
What is the InChIKey of 7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is ZOYLXQISNWBIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O2/c22-13-8-9-14-17(10-13)26(16-6-3-5-15(19(14)16)20(25)27)11-12-4-1-2-7-18(12)28-21(23)24/h1-10,21H,11H2,(H2,25,27).
What are the key properties of 7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 400.81 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174399757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).