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

C27H18Cl2F2N2O2 — CID 175235599

IUPAC7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3Cl)cc1n2Cc1ccccc1OC(F)F
InChIInChI=1S/C27H18Cl2F2N2O2/c28-17-9-11-18(21(29)13-17)15-8-10-19-23(12-15)33(22-6-3-5-20(25(19)22)26(32)34)14-16-4-1-2-7-24(16)35-27(30)31/h1-13,27H,14H2,(H2,32,34)
InChIKeyFYLCHAUNFVCUON-UHFFFAOYSA-N
MW511.36 g/mol
LogP7.52
Rot. Bonds6

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

7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 175235599) has the molecular formula C27H18Cl2F2N2O2 and a molecular weight of 511.36 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
PubChem CID175235599
Molecular FormulaC27H18Cl2F2N2O2
Molecular Weight511.36 g/mol
Exact Mass510.07
IUPAC Name7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3Cl)cc1n2Cc1ccccc1OC(F)F
InChIInChI=1S/C27H18Cl2F2N2O2/c28-17-9-11-18(21(29)13-17)15-8-10-19-23(12-15)33(22-6-3-5-20(25(19)22)26(32)34)14-16-4-1-2-7-24(16)35-27(30)31/h1-13,27H,14H2,(H2,32,34)
InChIKeyFYLCHAUNFVCUON-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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Related Compounds

7-(2,4-dichlorophenyl)-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174399730
9-[(2-bromophenyl)methyl]-7-(2,4-dichlorophenyl)carbazole-4-carboxamide
CID 174400340
7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174417916
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826
7-(4-chlorophenyl)-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414665
7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide
CID 175233520
7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235617
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517
7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414775
7-(2,6-dichlorophenyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174440765
9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide
CID 174414136
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (CID 175235599) is 7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3Cl)cc1n2Cc1ccccc1OC(F)F.
What is the InChIKey of 7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is FYLCHAUNFVCUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2F2N2O2/c28-17-9-11-18(21(29)13-17)15-8-10-19-23(12-15)33(22-6-3-5-20(25(19)22)26(32)34)14-16-4-1-2-7-24(16)35-27(30)31/h1-13,27H,14H2,(H2,32,34).
What are the key properties of 7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
7-(2,4-dichlorophenyl)-9-[[2-(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-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 175235599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).