5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide

C19H15ClF2N2O3 — CID 67094327

IUPAC5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)c(F)c2)OCCO1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H15ClF2N2O3/c20-13-2-4-16-11(7-13)8-17(24-16)18(25)23-10-19(26-5-6-27-19)12-1-3-14(21)15(22)9-12/h1-4,7-9,24H,5-6,10H2,(H,23,25)
InChIKeySJDLQZUNGPUJME-UHFFFAOYSA-N
MW392.79 g/mol
LogP3.73
Rot. Bonds4

About 5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide

5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 67094327) has the molecular formula C19H15ClF2N2O3 and a molecular weight of 392.79 g/mol. Its IUPAC name is 5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide
PubChem CID67094327
Molecular FormulaC19H15ClF2N2O3
Molecular Weight392.79 g/mol
Exact Mass392.07
IUPAC Name5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)c(F)c2)OCCO1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H15ClF2N2O3/c20-13-2-4-16-11(7-13)8-17(24-16)18(25)23-10-19(26-5-6-27-19)12-1-3-14(21)15(22)9-12/h1-4,7-9,24H,5-6,10H2,(H,23,25)
InChIKeySJDLQZUNGPUJME-UHFFFAOYSA-N
XLogP3.73
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.79
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide (CID 67094327) is 5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide is O=C(NCC1(c2ccc(F)c(F)c2)OCCO1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is SJDLQZUNGPUJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O3/c20-13-2-4-16-11(7-13)8-17(24-16)18(25)23-10-19(26-5-6-27-19)12-1-3-14(21)15(22)9-12/h1-4,7-9,24H,5-6,10H2,(H,23,25).
What are the key properties of 5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide?
5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 392.79 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(3,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67094327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).