9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide

C20H13F3N2O — CID 174400321

IUPAC9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(F)cc1n2Cc1cc(F)ccc1F
InChIInChI=1S/C20H13F3N2O/c21-12-5-7-16(23)11(8-12)10-25-17-3-1-2-15(20(24)26)19(17)14-6-4-13(22)9-18(14)25/h1-9H,10H2,(H2,24,26)
InChIKeyIBDIZPOBUJKBOJ-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.36
Rot. Bonds3

About 9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide

9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide (PubChem CID 174400321) has the molecular formula C20H13F3N2O and a molecular weight of 354.33 g/mol. Its IUPAC name is 9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
PubChem CID174400321
Molecular FormulaC20H13F3N2O
Molecular Weight354.33 g/mol
Exact Mass354.10
IUPAC Name9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(F)cc1n2Cc1cc(F)ccc1F
InChIInChI=1S/C20H13F3N2O/c21-12-5-7-16(23)11(8-12)10-25-17-3-1-2-15(20(24)26)19(17)14-6-4-13(22)9-18(14)25/h1-9H,10H2,(H2,24,26)
InChIKeyIBDIZPOBUJKBOJ-UHFFFAOYSA-N
XLogP4.36
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(2,5-difluorophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 174400744
9-[(2-bromo-5-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414505
9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174401393
7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174414809
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
CID 174401684
9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174417849
9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174400319
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174399765
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 174414518
6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174417840
9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174400379

Frequently Asked Questions

What is the IUPAC name of 9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide?
The IUPAC name of 9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide (CID 174400321) is 9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide?
The canonical SMILES for 9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(F)cc1n2Cc1cc(F)ccc1F.
What is the InChIKey of 9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide?
The InChIKey is IBDIZPOBUJKBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O/c21-12-5-7-16(23)11(8-12)10-25-17-3-1-2-15(20(24)26)19(17)14-6-4-13(22)9-18(14)25/h1-9H,10H2,(H2,24,26).
What are the key properties of 9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide?
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide is sourced from PubChem (CID 174400321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).