5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide

C18H16ClFN2O2 — CID 154585763

IUPAC5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCC(C)Oc1ccccc1-c1c(C(N)=O)[nH]c2cc(F)c(Cl)cc12
InChIInChI=1S/C18H16ClFN2O2/c1-9(2)24-15-6-4-3-5-10(15)16-11-7-12(19)13(20)8-14(11)22-17(16)18(21)23/h3-9,22H,1-2H3,(H2,21,23)
InChIKeyCNUHFUPIGPUPON-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.51
Rot. Bonds4

About 5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide

5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (PubChem CID 154585763) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
PubChem CID154585763
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCC(C)Oc1ccccc1-c1c(C(N)=O)[nH]c2cc(F)c(Cl)cc12
InChIInChI=1S/C18H16ClFN2O2/c1-9(2)24-15-6-4-3-5-10(15)16-11-7-12(19)13(20)8-14(11)22-17(16)18(21)23/h3-9,22H,1-2H3,(H2,21,23)
InChIKeyCNUHFUPIGPUPON-UHFFFAOYSA-N
XLogP4.51
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (CID 154585763) is 5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is CC(C)Oc1ccccc1-c1c(C(N)=O)[nH]c2cc(F)c(Cl)cc12.
What is the InChIKey of 5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is CNUHFUPIGPUPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-9(2)24-15-6-4-3-5-10(15)16-11-7-12(19)13(20)8-14(11)22-17(16)18(21)23/h3-9,22H,1-2H3,(H2,21,23).
What are the key properties of 5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 346.79 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 154585763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).