1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate

C30H30FN3O4 — CID 59425056

IUPAC1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate
SMILESCOCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)c4ccc(F)cc4)cc3)n(C(C)C)c2c1
InChIInChI=1S/C30H30FN3O4/c1-19(2)34-28-17-25(37-16-15-36-4)13-14-26(28)27(18-32)29(34)22-7-11-24(12-8-22)33-30(35)38-20(3)21-5-9-23(31)10-6-21/h5-14,17,19-20H,15-16H2,1-4H3,(H,33,35)
InChIKeyVSGCWKOFVRDNGX-UHFFFAOYSA-N
MW515.59 g/mol
LogP7.23
Rot. Bonds9

About 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate

1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate (PubChem CID 59425056) has the molecular formula C30H30FN3O4 and a molecular weight of 515.59 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate
PubChem CID59425056
Molecular FormulaC30H30FN3O4
Molecular Weight515.59 g/mol
Exact Mass515.22
IUPAC Name1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate
SMILESCOCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)c4ccc(F)cc4)cc3)n(C(C)C)c2c1
InChIInChI=1S/C30H30FN3O4/c1-19(2)34-28-17-25(37-16-15-36-4)13-14-26(28)27(18-32)29(34)22-7-11-24(12-8-22)33-30(35)38-20(3)21-5-9-23(31)10-6-21/h5-14,17,19-20H,15-16H2,1-4H3,(H,33,35)
InChIKeyVSGCWKOFVRDNGX-UHFFFAOYSA-N
XLogP7.23
TPSA85.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.59
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate?
The IUPAC name of 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate (CID 59425056) is 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate is COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)c4ccc(F)cc4)cc3)n(C(C)C)c2c1.
What is the InChIKey of 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate?
The InChIKey is VSGCWKOFVRDNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O4/c1-19(2)34-28-17-25(37-16-15-36-4)13-14-26(28)27(18-32)29(34)22-7-11-24(12-8-22)33-30(35)38-20(3)21-5-9-23(31)10-6-21/h5-14,17,19-20H,15-16H2,1-4H3,(H,33,35).
What are the key properties of 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate?
1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate has a molecular weight of 515.59 g/mol, XLogP of 7.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).