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

C18H17ClN2O2 — CID 162677001

IUPAC5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCC(C)Oc1ccccc1-c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H17ClN2O2/c1-10(2)23-15-6-4-3-5-12(15)16-13-9-11(19)7-8-14(13)21-17(16)18(20)22/h3-10,21H,1-2H3,(H2,20,22)
InChIKeyLMVWWMVQMOTCQD-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.37
Rot. Bonds4

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

5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (PubChem CID 162677001) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
PubChem CID162677001
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCC(C)Oc1ccccc1-c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H17ClN2O2/c1-10(2)23-15-6-4-3-5-12(15)16-13-9-11(19)7-8-14(13)21-17(16)18(20)22/h3-10,21H,1-2H3,(H2,20,22)
InChIKeyLMVWWMVQMOTCQD-UHFFFAOYSA-N
XLogP4.37
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (CID 162677001) is 5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is CC(C)Oc1ccccc1-c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is LMVWWMVQMOTCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-10(2)23-15-6-4-3-5-12(15)16-13-9-11(19)7-8-14(13)21-17(16)18(20)22/h3-10,21H,1-2H3,(H2,20,22).
What are the key properties of 5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 162677001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).