N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide

C17H22ClFN4O3 — CID 155294814

IUPACN-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide
SMILESO=C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CN1CCN1CCOCC1
InChIInChI=1S/C17H22ClFN4O3/c18-14-11-13(1-2-15(14)19)20-17(25)23-4-3-16(24)22(12-23)6-5-21-7-9-26-10-8-21/h1-2,11H,3-10,12H2,(H,20,25)
InChIKeyNEJUAIKJPWVAIR-UHFFFAOYSA-N
MW384.84 g/mol
LogP1.84
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide

N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide (PubChem CID 155294814) has the molecular formula C17H22ClFN4O3 and a molecular weight of 384.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide
PubChem CID155294814
Molecular FormulaC17H22ClFN4O3
Molecular Weight384.84 g/mol
Exact Mass384.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide
SMILESO=C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CN1CCN1CCOCC1
InChIInChI=1S/C17H22ClFN4O3/c18-14-11-13(1-2-15(14)19)20-17(25)23-4-3-16(24)22(12-23)6-5-21-7-9-26-10-8-21/h1-2,11H,3-10,12H2,(H,20,25)
InChIKeyNEJUAIKJPWVAIR-UHFFFAOYSA-N
XLogP1.84
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide (CID 155294814) is N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide is O=C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CN1CCN1CCOCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide?
The InChIKey is NEJUAIKJPWVAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN4O3/c18-14-11-13(1-2-15(14)19)20-17(25)23-4-3-16(24)22(12-23)6-5-21-7-9-26-10-8-21/h1-2,11H,3-10,12H2,(H,20,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-diazinane-1-carboxamide is sourced from PubChem (CID 155294814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).