7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

C25H24F2N2O2 — CID 174400322

IUPAC7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(OC(F)F)c3)c2c1
InChIInChI=1S/C25H24F2N2O2/c1-2-3-6-16-11-12-19-22(14-16)29(21-10-5-9-20(23(19)21)24(28)30)15-17-7-4-8-18(13-17)31-25(26)27/h4-5,7-14,25H,2-3,6,15H2,1H3,(H2,28,30)
InChIKeyVHFGGWGVYXXNIS-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.89
Rot. Bonds8

About 7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174400322) has the molecular formula C25H24F2N2O2 and a molecular weight of 422.48 g/mol. Its IUPAC name is 7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174400322
Molecular FormulaC25H24F2N2O2
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(OC(F)F)c3)c2c1
InChIInChI=1S/C25H24F2N2O2/c1-2-3-6-16-11-12-19-22(14-16)29(21-10-5-9-20(23(19)21)24(28)30)15-17-7-4-8-18(13-17)31-25(26)27/h4-5,7-14,25H,2-3,6,15H2,1H3,(H2,28,30)
InChIKeyVHFGGWGVYXXNIS-UHFFFAOYSA-N
XLogP5.89
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 175233543
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174400416
9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417636
9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 175235591
9-[(4-methylsulfonylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417959
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174414828
2-[5-carbamoyl-9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethylcarbazol-4-yl]peroxyacetic acid
CID 151981594
7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide
CID 174401378
5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 22740496

Frequently Asked Questions

What is the IUPAC name of 7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (CID 174400322) is 7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is CCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(OC(F)F)c3)c2c1.
What is the InChIKey of 7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is VHFGGWGVYXXNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O2/c1-2-3-6-16-11-12-19-22(14-16)29(21-10-5-9-20(23(19)21)24(28)30)15-17-7-4-8-18(13-17)31-25(26)27/h4-5,7-14,25H,2-3,6,15H2,1H3,(H2,28,30).
What are the key properties of 7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174400322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).