7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

C27H17Cl2F3N2O2 — CID 174399755

IUPAC7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3c(Cl)cccc3Cl)cc1n2Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C27H17Cl2F3N2O2/c28-20-7-3-8-21(29)24(20)16-10-11-18-23(13-16)34(22-9-2-6-19(25(18)22)26(33)35)14-15-4-1-5-17(12-15)36-27(30,31)32/h1-13H,14H2,(H2,33,35)
InChIKeyJWTRLQCFVTWUBK-UHFFFAOYSA-N
MW529.35 g/mol
LogP7.81
Rot. Bonds5

About 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide

7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174399755) has the molecular formula C27H17Cl2F3N2O2 and a molecular weight of 529.35 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174399755
Molecular FormulaC27H17Cl2F3N2O2
Molecular Weight529.35 g/mol
Exact Mass528.06
IUPAC Name7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3c(Cl)cccc3Cl)cc1n2Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C27H17Cl2F3N2O2/c28-20-7-3-8-21(29)24(20)16-10-11-18-23(13-16)34(22-9-2-6-19(25(18)22)26(33)35)14-15-4-1-5-17(12-15)36-27(30,31)32/h1-13H,14H2,(H2,33,35)
InChIKeyJWTRLQCFVTWUBK-UHFFFAOYSA-N
XLogP7.81
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.35
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(4-methyl-benzyl)-acetamide
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CID 9847751
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 9912793
2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(2-methyl-benzyl)-acetamide
CID 9955928
N-(3,5-dichloro-4-pyridinyl)-1-[(3-methoxyphenyl)methyl]-3-methylindole-6-carboxamide
CID 44298444
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CID 16737377
(3E)-4-chloro-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one
CID 16738492
N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide
CID 70691060
3-[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2,2-difluoro-1-(4-methylphenyl)propan-1-one
CID 155929641
N-acetyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide (CID 174399755) is 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3c(Cl)cccc3Cl)cc1n2Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is JWTRLQCFVTWUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl2F3N2O2/c28-20-7-3-8-21(29)24(20)16-10-11-18-23(13-16)34(22-9-2-6-19(25(18)22)26(33)35)14-15-4-1-5-17(12-15)36-27(30,31)32/h1-13H,14H2,(H2,33,35).
What are the key properties of 7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide?
7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 529.35 g/mol, XLogP of 7.81, 5 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-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174399755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).