4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide

C13H17F2N3O2 — CID 107933034

IUPAC4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1ccc(CN)c(F)c1F
InChIInChI=1S/C13H17F2N3O2/c1-17-13(19)10-7-20-5-4-18(10)9-3-2-8(6-16)11(14)12(9)15/h2-3,10H,4-7,16H2,1H3,(H,17,19)
InChIKeyOOPDDQPIENBVPW-UHFFFAOYSA-N
MW285.29 g/mol
LogP0.37
Rot. Bonds3

About 4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide

4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide (PubChem CID 107933034) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide
PubChem CID107933034
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1ccc(CN)c(F)c1F
InChIInChI=1S/C13H17F2N3O2/c1-17-13(19)10-7-20-5-4-18(10)9-3-2-8(6-16)11(14)12(9)15/h2-3,10H,4-7,16H2,1H3,(H,17,19)
InChIKeyOOPDDQPIENBVPW-UHFFFAOYSA-N
XLogP0.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide (CID 107933034) is 4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1ccc(CN)c(F)c1F.
What is the InChIKey of 4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is OOPDDQPIENBVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-17-13(19)10-7-20-5-4-18(10)9-3-2-8(6-16)11(14)12(9)15/h2-3,10H,4-7,16H2,1H3,(H,17,19).
What are the key properties of 4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide?
4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 107933034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).