pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate

C23H20ClFN4O4 — CID 91338734

IUPACpyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate
SMILESCC(NC(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Oc2ccccc2Cl)cc1F
InChIInChI=1S/C23H20ClFN4O4/c1-14(17-7-6-15(10-19(17)25)32-20-5-3-2-4-18(20)24)28-21(30)23(8-9-23)29-22(31)33-16-11-26-13-27-12-16/h2-7,10-14H,8-9H2,1H3,(H,28,30)(H,29,31)
InChIKeyWJKVBWRVKGUZIH-UHFFFAOYSA-N
MW470.89 g/mol
LogP4.56
Rot. Bonds7

About pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate

pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate (PubChem CID 91338734) has the molecular formula C23H20ClFN4O4 and a molecular weight of 470.89 g/mol. Its IUPAC name is pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate.

Molecular Properties

Compound Namepyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate
PubChem CID91338734
Molecular FormulaC23H20ClFN4O4
Molecular Weight470.89 g/mol
Exact Mass470.12
IUPAC Namepyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate
SMILESCC(NC(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Oc2ccccc2Cl)cc1F
InChIInChI=1S/C23H20ClFN4O4/c1-14(17-7-6-15(10-19(17)25)32-20-5-3-2-4-18(20)24)28-21(30)23(8-9-23)29-22(31)33-16-11-26-13-27-12-16/h2-7,10-14H,8-9H2,1H3,(H,28,30)(H,29,31)
InChIKeyWJKVBWRVKGUZIH-UHFFFAOYSA-N
XLogP4.56
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.89
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]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 pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate?
The IUPAC name of pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate (CID 91338734) is pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate.
What is the SMILES notation for pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate?
The canonical SMILES for pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate is CC(NC(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Oc2ccccc2Cl)cc1F.
What is the InChIKey of pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate?
The InChIKey is WJKVBWRVKGUZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O4/c1-14(17-7-6-15(10-19(17)25)32-20-5-3-2-4-18(20)24)28-21(30)23(8-9-23)29-22(31)33-16-11-26-13-27-12-16/h2-7,10-14H,8-9H2,1H3,(H,28,30)(H,29,31).
What are the key properties of pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate?
pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate has a molecular weight of 470.89 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate is sourced from PubChem (CID 91338734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).