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

C24H22F2N2O2 — CID 175233543

IUPAC9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
SMILESCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(OC(F)F)cc3)c2c1
InChIInChI=1S/C24H22F2N2O2/c1-2-4-15-9-12-18-21(13-15)28(20-6-3-5-19(22(18)20)23(27)29)14-16-7-10-17(11-8-16)30-24(25)26/h3,5-13,24H,2,4,14H2,1H3,(H2,27,29)
InChIKeyBOJKZGHAXSKELJ-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.50
Rot. Bonds7

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

9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide (PubChem CID 175233543) has the molecular formula C24H22F2N2O2 and a molecular weight of 408.45 g/mol. Its IUPAC name is 9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
PubChem CID175233543
Molecular FormulaC24H22F2N2O2
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
SMILESCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(OC(F)F)cc3)c2c1
InChIInChI=1S/C24H22F2N2O2/c1-2-4-15-9-12-18-21(13-15)28(20-6-3-5-19(22(18)20)23(27)29)14-16-7-10-17(11-8-16)30-24(25)26/h3,5-13,24H,2,4,14H2,1H3,(H2,27,29)
InChIKeyBOJKZGHAXSKELJ-UHFFFAOYSA-N
XLogP5.50
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174400322
9-[[4-(difluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 175235591
7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide
CID 174401378
9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417543
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174440690
9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174401373
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 175235910
9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417636
9-[(4-methylsulfonylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417959
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 174414518

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide?
The IUPAC name of 9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide (CID 175233543) is 9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide?
The canonical SMILES for 9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide is CCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(OC(F)F)cc3)c2c1.
What is the InChIKey of 9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide?
The InChIKey is BOJKZGHAXSKELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O2/c1-2-4-15-9-12-18-21(13-15)28(20-6-3-5-19(22(18)20)23(27)29)14-16-7-10-17(11-8-16)30-24(25)26/h3,5-13,24H,2,4,14H2,1H3,(H2,27,29).
What are the key properties of 9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide?
9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 5.50, 7 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-propylcarbazole-4-carboxamide is sourced from PubChem (CID 175233543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).