[1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate

C29H29FN2O4 — CID 90859592

IUPAC[1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate
SMILESNC(=O)C1c2ccc(CN3CCOCC3)cc2CCC1OC(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C29H29FN2O4/c30-24-9-6-21(7-10-24)20-2-4-22(5-3-20)29(34)36-26-12-8-23-17-19(18-32-13-15-35-16-14-32)1-11-25(23)27(26)28(31)33/h1-7,9-11,17,26-27H,8,12-16,18H2,(H2,31,33)
InChIKeyZQUPCHVBMGBPMW-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.07
Rot. Bonds6

About [1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate

[1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate (PubChem CID 90859592) has the molecular formula C29H29FN2O4 and a molecular weight of 488.56 g/mol. Its IUPAC name is [1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate.

Molecular Properties

Compound Name[1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate
PubChem CID90859592
Molecular FormulaC29H29FN2O4
Molecular Weight488.56 g/mol
Exact Mass488.21
IUPAC Name[1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate
SMILESNC(=O)C1c2ccc(CN3CCOCC3)cc2CCC1OC(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C29H29FN2O4/c30-24-9-6-21(7-10-24)20-2-4-22(5-3-20)29(34)36-26-12-8-23-17-19(18-32-13-15-35-16-14-32)1-11-25(23)27(26)28(31)33/h1-7,9-11,17,26-27H,8,12-16,18H2,(H2,31,33)
InChIKeyZQUPCHVBMGBPMW-UHFFFAOYSA-N
XLogP4.07
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate 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-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate?
The IUPAC name of [1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate (CID 90859592) is [1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate.
What is the SMILES notation for [1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate?
The canonical SMILES for [1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate is NC(=O)C1c2ccc(CN3CCOCC3)cc2CCC1OC(=O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of [1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate?
The InChIKey is ZQUPCHVBMGBPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN2O4/c30-24-9-6-21(7-10-24)20-2-4-22(5-3-20)29(34)36-26-12-8-23-17-19(18-32-13-15-35-16-14-32)1-11-25(23)27(26)28(31)33/h1-7,9-11,17,26-27H,8,12-16,18H2,(H2,31,33).
What are the key properties of [1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate?
[1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate has a molecular weight of 488.56 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate is sourced from PubChem (CID 90859592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).