N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide

C18H19ClN2O2 — CID 39854653

IUPACN-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1[nH]c2c(C)ccc(Cl)c2c1CCNC(=O)c1ccoc1C
InChIInChI=1S/C18H19ClN2O2/c1-10-4-5-15(19)16-13(11(2)21-17(10)16)6-8-20-18(22)14-7-9-23-12(14)3/h4-5,7,9,21H,6,8H2,1-3H3,(H,20,22)
InChIKeyUAJKJXOWPMVEKB-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.31
Rot. Bonds4

About N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide

N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide (PubChem CID 39854653) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide
PubChem CID39854653
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1[nH]c2c(C)ccc(Cl)c2c1CCNC(=O)c1ccoc1C
InChIInChI=1S/C18H19ClN2O2/c1-10-4-5-15(19)16-13(11(2)21-17(10)16)6-8-20-18(22)14-7-9-23-12(14)3/h4-5,7,9,21H,6,8H2,1-3H3,(H,20,22)
InChIKeyUAJKJXOWPMVEKB-UHFFFAOYSA-N
XLogP4.31
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide (CID 39854653) is N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide is Cc1[nH]c2c(C)ccc(Cl)c2c1CCNC(=O)c1ccoc1C.
What is the InChIKey of N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide?
The InChIKey is UAJKJXOWPMVEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-10-4-5-15(19)16-13(11(2)21-17(10)16)6-8-20-18(22)14-7-9-23-12(14)3/h4-5,7,9,21H,6,8H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide?
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 39854653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).