N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide

C16H20F2N2O3 — CID 71990089

IUPACN-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCOCC1CN(C(=O)NC2CC2c2ccc(F)cc2F)CCO1
InChIInChI=1S/C16H20F2N2O3/c1-22-9-11-8-20(4-5-23-11)16(21)19-15-7-13(15)12-3-2-10(17)6-14(12)18/h2-3,6,11,13,15H,4-5,7-9H2,1H3,(H,19,21)
InChIKeyQDVPJOTVDOJNIF-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.88
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide

N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide (PubChem CID 71990089) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide
PubChem CID71990089
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC NameN-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCOCC1CN(C(=O)NC2CC2c2ccc(F)cc2F)CCO1
InChIInChI=1S/C16H20F2N2O3/c1-22-9-11-8-20(4-5-23-11)16(21)19-15-7-13(15)12-3-2-10(17)6-14(12)18/h2-3,6,11,13,15H,4-5,7-9H2,1H3,(H,19,21)
InChIKeyQDVPJOTVDOJNIF-UHFFFAOYSA-N
XLogP1.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide 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 N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide (CID 71990089) is N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide is COCC1CN(C(=O)NC2CC2c2ccc(F)cc2F)CCO1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide?
The InChIKey is QDVPJOTVDOJNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-22-9-11-8-20(4-5-23-11)16(21)19-15-7-13(15)12-3-2-10(17)6-14(12)18/h2-3,6,11,13,15H,4-5,7-9H2,1H3,(H,19,21).
What are the key properties of N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide?
N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 71990089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).