ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate

C18H17ClN2O2 — CID 21387993

IUPACethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate
SMILESCCOC(=O)Nc1c(-c2ccccc2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C18H17ClN2O2/c1-3-23-18(22)20-17-16(12-7-5-4-6-8-12)14-11-13(19)9-10-15(14)21(17)2/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyCYIWATQBEOWLGA-UHFFFAOYSA-N
MW328.80 g/mol
LogP5.07
Rot. Bonds3

About ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate

ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate (PubChem CID 21387993) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate
PubChem CID21387993
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Nameethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate
SMILESCCOC(=O)Nc1c(-c2ccccc2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C18H17ClN2O2/c1-3-23-18(22)20-17-16(12-7-5-4-6-8-12)14-11-13(19)9-10-15(14)21(17)2/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyCYIWATQBEOWLGA-UHFFFAOYSA-N
XLogP5.07
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.80
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate?
The IUPAC name of ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate (CID 21387993) is ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate?
The canonical SMILES for ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate is CCOC(=O)Nc1c(-c2ccccc2)c2cc(Cl)ccc2n1C.
What is the InChIKey of ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate?
The InChIKey is CYIWATQBEOWLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-3-23-18(22)20-17-16(12-7-5-4-6-8-12)14-11-13(19)9-10-15(14)21(17)2/h4-11H,3H2,1-2H3,(H,20,22).
What are the key properties of ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate?
ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate has a molecular weight of 328.80 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate is sourced from PubChem (CID 21387993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).