6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide

C19H24ClFN2O2 — CID 58011385

IUPAC6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
SMILESO=C(NCC1CCCCCC1)c1cn(CCO)c2cc(Cl)cc(F)c12
InChIInChI=1S/C19H24ClFN2O2/c20-14-9-16(21)18-15(12-23(7-8-24)17(18)10-14)19(25)22-11-13-5-3-1-2-4-6-13/h9-10,12-13,24H,1-8,11H2,(H,22,25)
InChIKeyWXVCAQLUYFCEKG-UHFFFAOYSA-N
MW366.86 g/mol
LogP4.13
Rot. Bonds5

About 6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide

6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide (PubChem CID 58011385) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
PubChem CID58011385
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC Name6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
SMILESO=C(NCC1CCCCCC1)c1cn(CCO)c2cc(Cl)cc(F)c12
InChIInChI=1S/C19H24ClFN2O2/c20-14-9-16(21)18-15(12-23(7-8-24)17(18)10-14)19(25)22-11-13-5-3-1-2-4-6-13/h9-10,12-13,24H,1-8,11H2,(H,22,25)
InChIKeyWXVCAQLUYFCEKG-UHFFFAOYSA-N
XLogP4.13
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011331
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide
CID 58011439
CID 89144935
CID 89144935
N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide
CID 58011311
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide
CID 58011335
N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide
CID 145106803
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
4-bromo-N-(cycloheptylmethyl)-1-[2-(oxetan-3-yl)ethyl]indole-3-carboxamide
CID 71077090
5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide
CID 65388548
4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011456

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide?
The IUPAC name of 6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide (CID 58011385) is 6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide?
The canonical SMILES for 6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide is O=C(NCC1CCCCCC1)c1cn(CCO)c2cc(Cl)cc(F)c12.
What is the InChIKey of 6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide?
The InChIKey is WXVCAQLUYFCEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O2/c20-14-9-16(21)18-15(12-23(7-8-24)17(18)10-14)19(25)22-11-13-5-3-1-2-4-6-13/h9-10,12-13,24H,1-8,11H2,(H,22,25).
What are the key properties of 6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide?
6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide has a molecular weight of 366.86 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide is sourced from PubChem (CID 58011385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).