8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

C21H15ClF2N2O2 — CID 174399447

IUPAC8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(Cl)c1n2Cc1cccc(OC(F)F)c1
InChIInChI=1S/C21H15ClF2N2O2/c22-16-8-2-6-14-18-15(20(25)27)7-3-9-17(18)26(19(14)16)11-12-4-1-5-13(10-12)28-21(23)24/h1-10,21H,11H2,(H2,25,27)
InChIKeyBJKOJQMSUGVGJN-UHFFFAOYSA-N
MW400.81 g/mol
LogP5.20
Rot. Bonds5

About 8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174399447) has the molecular formula C21H15ClF2N2O2 and a molecular weight of 400.81 g/mol. Its IUPAC name is 8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174399447
Molecular FormulaC21H15ClF2N2O2
Molecular Weight400.81 g/mol
Exact Mass400.08
IUPAC Name8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(Cl)c1n2Cc1cccc(OC(F)F)c1
InChIInChI=1S/C21H15ClF2N2O2/c22-16-8-2-6-14-18-15(20(25)27)7-3-9-17(18)26(19(14)16)11-12-4-1-5-13(10-12)28-21(23)24/h1-10,21H,11H2,(H2,25,27)
InChIKeyBJKOJQMSUGVGJN-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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Frequently Asked Questions

What is the IUPAC name of 8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (CID 174399447) is 8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1cccc(Cl)c1n2Cc1cccc(OC(F)F)c1.
What is the InChIKey of 8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is BJKOJQMSUGVGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O2/c22-16-8-2-6-14-18-15(20(25)27)7-3-9-17(18)26(19(14)16)11-12-4-1-5-13(10-12)28-21(23)24/h1-10,21H,11H2,(H2,25,27).
What are the key properties of 8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
8-chloro-9-[[3-(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 8-chloro-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174399447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).