9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide

C20H13F3N2O — CID 174440659

IUPAC9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(F)c1n2Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H13F3N2O/c21-14-8-7-11(9-16(14)23)10-25-17-6-2-4-13(20(24)26)18(17)12-3-1-5-15(22)19(12)25/h1-9H,10H2,(H2,24,26)
InChIKeyFGPGKWPKXHIMTD-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.36
Rot. Bonds3

About 9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide

9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide (PubChem CID 174440659) has the molecular formula C20H13F3N2O and a molecular weight of 354.33 g/mol. Its IUPAC name is 9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
PubChem CID174440659
Molecular FormulaC20H13F3N2O
Molecular Weight354.33 g/mol
Exact Mass354.10
IUPAC Name9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(F)c1n2Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H13F3N2O/c21-14-8-7-11(9-16(14)23)10-25-17-6-2-4-13(20(24)26)18(17)12-3-1-5-15(22)19(12)25/h1-9H,10H2,(H2,24,26)
InChIKeyFGPGKWPKXHIMTD-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

8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174440705
8-fluoro-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235633
8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174444281
9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174417772
9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414814
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414627
8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414251
9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174414833
7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414795
9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414642
9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
CID 174401032
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285

Frequently Asked Questions

What is the IUPAC name of 9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide?
The IUPAC name of 9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide (CID 174440659) is 9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide?
The canonical SMILES for 9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide is NC(=O)c1cccc2c1c1cccc(F)c1n2Cc1ccc(F)c(F)c1.
What is the InChIKey of 9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide?
The InChIKey is FGPGKWPKXHIMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O/c21-14-8-7-11(9-16(14)23)10-25-17-6-2-4-13(20(24)26)18(17)12-3-1-5-15(22)19(12)25/h1-9H,10H2,(H2,24,26).
What are the key properties of 9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide?
9-[(3,4-difluorophenyl)methyl]-8-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-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide is sourced from PubChem (CID 174440659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).