7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

C27H18Cl2F2N2O2 — CID 174399779

IUPAC7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3c(Cl)cccc3Cl)cc1n2Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C27H18Cl2F2N2O2/c28-20-4-2-5-21(29)24(20)16-9-12-18-23(13-16)33(22-6-1-3-19(25(18)22)26(32)34)14-15-7-10-17(11-8-15)35-27(30)31/h1-13,27H,14H2,(H2,32,34)
InChIKeyHMXQMZFMGSHVRR-UHFFFAOYSA-N
MW511.36 g/mol
LogP7.52
Rot. Bonds6

About 7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174399779) has the molecular formula C27H18Cl2F2N2O2 and a molecular weight of 511.36 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174399779
Molecular FormulaC27H18Cl2F2N2O2
Molecular Weight511.36 g/mol
Exact Mass510.07
IUPAC Name7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3c(Cl)cccc3Cl)cc1n2Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C27H18Cl2F2N2O2/c28-20-4-2-5-21(29)24(20)16-9-12-18-23(13-16)33(22-6-1-3-19(25(18)22)26(32)34)14-15-7-10-17(11-8-15)35-27(30)31/h1-13,27H,14H2,(H2,32,34)
InChIKeyHMXQMZFMGSHVRR-UHFFFAOYSA-N
XLogP7.52
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.36
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (CID 174399779) is 7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3c(Cl)cccc3Cl)cc1n2Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is HMXQMZFMGSHVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2F2N2O2/c28-20-4-2-5-21(29)24(20)16-9-12-18-23(13-16)33(22-6-1-3-19(25(18)22)26(32)34)14-15-7-10-17(11-8-15)35-27(30)31/h1-13,27H,14H2,(H2,32,34).
What are the key properties of 7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 511.36 g/mol, XLogP of 7.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-9-[[4-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174399779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).