9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide

C20H14BrFN2O — CID 174417549

IUPAC9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cc(F)ccc1n2Cc1cccc(Br)c1
InChIInChI=1S/C20H14BrFN2O/c21-13-4-1-3-12(9-13)11-24-17-8-7-14(22)10-16(17)19-15(20(23)25)5-2-6-18(19)24/h1-10H,11H2,(H2,23,25)
InChIKeyFODPFOCYGCTZRO-UHFFFAOYSA-N
MW397.25 g/mol
LogP4.84
Rot. Bonds3

About 9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide

9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide (PubChem CID 174417549) has the molecular formula C20H14BrFN2O and a molecular weight of 397.25 g/mol. Its IUPAC name is 9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide
PubChem CID174417549
Molecular FormulaC20H14BrFN2O
Molecular Weight397.25 g/mol
Exact Mass396.03
IUPAC Name9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cc(F)ccc1n2Cc1cccc(Br)c1
InChIInChI=1S/C20H14BrFN2O/c21-13-4-1-3-12(9-13)11-24-17-8-7-14(22)10-16(17)19-15(20(23)25)5-2-6-18(19)24/h1-10H,11H2,(H2,23,25)
InChIKeyFODPFOCYGCTZRO-UHFFFAOYSA-N
XLogP4.84
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
CID 174401032
6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174414934
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
6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
CID 174423897
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
9-benzyl-6-fluorocarbazol-4-ol
CID 18671696
9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174440659
9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174417849
4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 160918189

Frequently Asked Questions

What is the IUPAC name of 9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide?
The IUPAC name of 9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide (CID 174417549) is 9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide?
The canonical SMILES for 9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide is NC(=O)c1cccc2c1c1cc(F)ccc1n2Cc1cccc(Br)c1.
What is the InChIKey of 9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide?
The InChIKey is FODPFOCYGCTZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN2O/c21-13-4-1-3-12(9-13)11-24-17-8-7-14(22)10-16(17)19-15(20(23)25)5-2-6-18(19)24/h1-10H,11H2,(H2,23,25).
What are the key properties of 9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide?
9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide has a molecular weight of 397.25 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide is sourced from PubChem (CID 174417549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).