methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate

C20H18FN3O3 — CID 25051657

IUPACmethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
SMILESCCn1c(-c2ccc(NC(=O)OC)c(F)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C20H18FN3O3/c1-4-24-18-10-13(26-2)6-7-14(18)15(11-22)19(24)12-5-8-17(16(21)9-12)23-20(25)27-3/h5-10H,4H2,1-3H3,(H,23,25)
InChIKeyUGCQOEHLIPOJRG-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.53
Rot. Bonds4

About methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate

methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate (PubChem CID 25051657) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
PubChem CID25051657
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Namemethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
SMILESCCn1c(-c2ccc(NC(=O)OC)c(F)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C20H18FN3O3/c1-4-24-18-10-13(26-2)6-7-14(18)15(11-22)19(24)12-5-8-17(16(21)9-12)23-20(25)27-3/h5-10H,4H2,1-3H3,(H,23,25)
InChIKeyUGCQOEHLIPOJRG-UHFFFAOYSA-N
XLogP4.53
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?
The IUPAC name of methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate (CID 25051657) is methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate.
What is the SMILES notation for methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?
The canonical SMILES for methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate is CCn1c(-c2ccc(NC(=O)OC)c(F)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?
The InChIKey is UGCQOEHLIPOJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-4-24-18-10-13(26-2)6-7-14(18)15(11-22)19(24)12-5-8-17(16(21)9-12)23-20(25)27-3/h5-10H,4H2,1-3H3,(H,23,25).
What are the key properties of methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?
methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate has a molecular weight of 367.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate is sourced from PubChem (CID 25051657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).