N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide

C13H15ClF2N2O3 — CID 71868799

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1OC(F)F)N1CCOCC1
InChIInChI=1S/C13H15ClF2N2O3/c14-10-1-2-11(21-12(15)16)9(7-10)8-17-13(19)18-3-5-20-6-4-18/h1-2,7,12H,3-6,8H2,(H,17,19)
InChIKeyAKQHIXMCUTYLQO-UHFFFAOYSA-N
MW320.72 g/mol
LogP2.48
Rot. Bonds4

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 71868799) has the molecular formula C13H15ClF2N2O3 and a molecular weight of 320.72 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide
PubChem CID71868799
Molecular FormulaC13H15ClF2N2O3
Molecular Weight320.72 g/mol
Exact Mass320.07
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1OC(F)F)N1CCOCC1
InChIInChI=1S/C13H15ClF2N2O3/c14-10-1-2-11(21-12(15)16)9(7-10)8-17-13(19)18-3-5-20-6-4-18/h1-2,7,12H,3-6,8H2,(H,17,19)
InChIKeyAKQHIXMCUTYLQO-UHFFFAOYSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.72
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide (CID 71868799) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide is O=C(NCc1cc(Cl)ccc1OC(F)F)N1CCOCC1.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is AKQHIXMCUTYLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O3/c14-10-1-2-11(21-12(15)16)9(7-10)8-17-13(19)18-3-5-20-6-4-18/h1-2,7,12H,3-6,8H2,(H,17,19).
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 320.72 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 71868799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).