8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide

C27H21FN2O2 — CID 174440705

IUPAC8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(F)c1n2Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C27H21FN2O2/c28-23-13-5-11-21-25-22(27(29)31)12-6-14-24(25)30(26(21)23)16-19-9-4-10-20(15-19)32-17-18-7-2-1-3-8-18/h1-15H,16-17H2,(H2,29,31)
InChIKeyNGDJTKVOIPWNCG-UHFFFAOYSA-N
MW424.48 g/mol
LogP5.66
Rot. Bonds6

About 8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide

8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174440705) has the molecular formula C27H21FN2O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide
PubChem CID174440705
Molecular FormulaC27H21FN2O2
Molecular Weight424.48 g/mol
Exact Mass424.16
IUPAC Name8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(F)c1n2Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C27H21FN2O2/c28-23-13-5-11-21-25-22(27(29)31)12-6-14-24(25)30(26(21)23)16-19-9-4-10-20(15-19)32-17-18-7-2-1-3-8-18/h1-15H,16-17H2,(H2,29,31)
InChIKeyNGDJTKVOIPWNCG-UHFFFAOYSA-N
XLogP5.66
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174440659
8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414251
9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414642
9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414814
8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174444281
9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174417772
8-fluoro-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235633
6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174414934
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414627
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
CID 174401032
2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid
CID 54135436

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide (CID 174440705) is 8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1cccc(F)c1n2Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is NGDJTKVOIPWNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O2/c28-23-13-5-11-21-25-22(27(29)31)12-6-14-24(25)30(26(21)23)16-19-9-4-10-20(15-19)32-17-18-7-2-1-3-8-18/h1-15H,16-17H2,(H2,29,31).
What are the key properties of 8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide?
8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174440705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).