N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide

C23H19F3N2O2 — CID 162680873

IUPACN-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide
SMILESCc1ccc2c(c1)c1cc(C(=O)NCCO)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H19F3N2O2/c1-14-2-8-20-18(12-14)19-13-15(22(30)27-10-11-29)3-9-21(19)28(20)17-6-4-16(5-7-17)23(24,25)26/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)
InChIKeyWFSOOLMZFVJZMI-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.83
Rot. Bonds4

About N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide

N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide (PubChem CID 162680873) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide
PubChem CID162680873
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC NameN-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide
SMILESCc1ccc2c(c1)c1cc(C(=O)NCCO)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H19F3N2O2/c1-14-2-8-20-18(12-14)19-13-15(22(30)27-10-11-29)3-9-21(19)28(20)17-6-4-16(5-7-17)23(24,25)26/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)
InChIKeyWFSOOLMZFVJZMI-UHFFFAOYSA-N
XLogP4.83
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone
CID 162680943
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide
CID 166838348
N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
CID 157037390
N-(3-imidazol-1-ylpropyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037964
N-[(2S)-1-hydroxypropan-2-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide
CID 157037753
N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide
CID 157037449
tert-butyl N-[2-[2-[2-[[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 157037407
N-(2,3-dihydroxypropyl)-3-methyl-4-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]indole-7-carboxamide
CID 166838237
N-(2-hydroxy-2-methylpropyl)-3-methyl-4-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]indole-7-carboxamide
CID 166838214
5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
CID 162680935
N-(1-hydroxypropan-2-yl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037940

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide (CID 162680873) is N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide is Cc1ccc2c(c1)c1cc(C(=O)NCCO)ccc1n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide?
The InChIKey is WFSOOLMZFVJZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c1-14-2-8-20-18(12-14)19-13-15(22(30)27-10-11-29)3-9-21(19)28(20)17-6-4-16(5-7-17)23(24,25)26/h2-9,12-13,29H,10-11H2,1H3,(H,27,30).
What are the key properties of N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide?
N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide is sourced from PubChem (CID 162680873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).