N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde

C15H17F4N3O4 — CID 143563070

IUPACN'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde
SMILESCNC(C)(C(=O)NC=O)C(=O)N(C)C.O=Cc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H15N3O3.C7H2F4O/c1-8(9-2,6(13)10-5-12)7(14)11(3)4;8-4-1-3(2-12)5(9)7(11)6(4)10/h5,9H,1-4H3,(H,10,12,13);1-2H
InChIKeyJTUVIYKOTBSPPB-UHFFFAOYSA-N
MW379.31 g/mol
LogP0.38
Rot. Bonds5

About N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde

N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde (PubChem CID 143563070) has the molecular formula C15H17F4N3O4 and a molecular weight of 379.31 g/mol. Its IUPAC name is N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde.

Molecular Properties

Compound NameN'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde
PubChem CID143563070
Molecular FormulaC15H17F4N3O4
Molecular Weight379.31 g/mol
Exact Mass379.12
IUPAC NameN'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde
SMILESCNC(C)(C(=O)NC=O)C(=O)N(C)C.O=Cc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H15N3O3.C7H2F4O/c1-8(9-2,6(13)10-5-12)7(14)11(3)4;8-4-1-3(2-12)5(9)7(11)6(4)10/h5,9H,1-4H3,(H,10,12,13);1-2H
InChIKeyJTUVIYKOTBSPPB-UHFFFAOYSA-N
XLogP0.38
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde?
The IUPAC name of N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde (CID 143563070) is N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde.
What is the SMILES notation for N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde?
The canonical SMILES for N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde is CNC(C)(C(=O)NC=O)C(=O)N(C)C.O=Cc1cc(F)c(F)c(F)c1F.
What is the InChIKey of N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde?
The InChIKey is JTUVIYKOTBSPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3.C7H2F4O/c1-8(9-2,6(13)10-5-12)7(14)11(3)4;8-4-1-3(2-12)5(9)7(11)6(4)10/h5,9H,1-4H3,(H,10,12,13);1-2H.
What are the key properties of N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde?
N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde has a molecular weight of 379.31 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-formyl-N,N,2-trimethyl-2-(methylamino)propanediamide;2,3,4,5-tetrafluorobenzaldehyde is sourced from PubChem (CID 143563070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).