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

C22H15F5N2O2 — CID 175235591

IUPAC9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(C(F)(F)F)cc1n2Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C22H15F5N2O2/c23-21(24)31-14-7-4-12(5-8-14)11-29-17-3-1-2-16(20(28)30)19(17)15-9-6-13(10-18(15)29)22(25,26)27/h1-10,21H,11H2,(H2,28,30)
InChIKeyJZXPVEGZSKCTPH-UHFFFAOYSA-N
MW434.36 g/mol
LogP5.56
Rot. Bonds5

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

9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide (PubChem CID 175235591) has the molecular formula C22H15F5N2O2 and a molecular weight of 434.36 g/mol. Its IUPAC name is 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
PubChem CID175235591
Molecular FormulaC22H15F5N2O2
Molecular Weight434.36 g/mol
Exact Mass434.11
IUPAC Name9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(C(F)(F)F)cc1n2Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C22H15F5N2O2/c23-21(24)31-14-7-4-12(5-8-14)11-29-17-3-1-2-16(20(28)30)19(17)15-9-6-13(10-18(15)29)22(25,26)27/h1-10,21H,11H2,(H2,28,30)
InChIKeyJZXPVEGZSKCTPH-UHFFFAOYSA-N
XLogP5.56
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.36
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 175235723
9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 175233543
7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174400322
7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174399747
9-[(2,5-difluorophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 174400744
7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174399765
9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417543
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 174414518
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414660
9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174400022
9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174401373
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide?
The IUPAC name of 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide (CID 175235591) is 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(C(F)(F)F)cc1n2Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide?
The InChIKey is JZXPVEGZSKCTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N2O2/c23-21(24)31-14-7-4-12(5-8-14)11-29-17-3-1-2-16(20(28)30)19(17)15-9-6-13(10-18(15)29)22(25,26)27/h1-10,21H,11H2,(H2,28,30).
What are the key properties of 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide?
9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide has a molecular weight of 434.36 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide is sourced from PubChem (CID 175235591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).