6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

C21H14F4N2O2 — CID 174414934

IUPAC6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cc(F)ccc1n2Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H14F4N2O2/c22-13-7-8-17-16(10-13)19-15(20(26)28)5-2-6-18(19)27(17)11-12-3-1-4-14(9-12)29-21(23,24)25/h1-10H,11H2,(H2,26,28)
InChIKeyUZNRDEZYXJGPCZ-UHFFFAOYSA-N
MW402.35 g/mol
LogP4.98
Rot. Bonds4

About 6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174414934) has the molecular formula C21H14F4N2O2 and a molecular weight of 402.35 g/mol. Its IUPAC name is 6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174414934
Molecular FormulaC21H14F4N2O2
Molecular Weight402.35 g/mol
Exact Mass402.10
IUPAC Name6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cc(F)ccc1n2Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H14F4N2O2/c22-13-7-8-17-16(10-13)19-15(20(26)28)5-2-6-18(19)27(17)11-12-3-1-4-14(9-12)29-21(23,24)25/h1-10H,11H2,(H2,26,28)
InChIKeyUZNRDEZYXJGPCZ-UHFFFAOYSA-N
XLogP4.98
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide
CID 174417549
6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174417840
2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid
CID 54135436
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
CID 174423897
7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174440705
9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
CID 174401032
2-[5-formyl-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 175780981
7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174400322
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414795

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (CID 174414934) is 6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1cc(F)ccc1n2Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is UZNRDEZYXJGPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N2O2/c22-13-7-8-17-16(10-13)19-15(20(26)28)5-2-6-18(19)27(17)11-12-3-1-4-14(9-12)29-21(23,24)25/h1-10H,11H2,(H2,26,28).
What are the key properties of 6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 402.35 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174414934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).