N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide

C12H23FN2O2 — CID 177012659

IUPACN-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide
SMILESCNC(CCC(=O)N(F)C(C)C)C(=O)C(C)C
InChIInChI=1S/C12H23FN2O2/c1-8(2)12(17)10(14-5)6-7-11(16)15(13)9(3)4/h8-10,14H,6-7H2,1-5H3
InChIKeyIZPBEXQAHRRFJU-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.70
Rot. Bonds7

About N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide

N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide (PubChem CID 177012659) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide.

Molecular Properties

Compound NameN-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide
PubChem CID177012659
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC NameN-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide
SMILESCNC(CCC(=O)N(F)C(C)C)C(=O)C(C)C
InChIInChI=1S/C12H23FN2O2/c1-8(2)12(17)10(14-5)6-7-11(16)15(13)9(3)4/h8-10,14H,6-7H2,1-5H3
InChIKeyIZPBEXQAHRRFJU-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide?
The IUPAC name of N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide (CID 177012659) is N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide.
What is the SMILES notation for N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide?
The canonical SMILES for N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide is CNC(CCC(=O)N(F)C(C)C)C(=O)C(C)C.
What is the InChIKey of N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide?
The InChIKey is IZPBEXQAHRRFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-8(2)12(17)10(14-5)6-7-11(16)15(13)9(3)4/h8-10,14H,6-7H2,1-5H3.
What are the key properties of N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide?
N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide has a molecular weight of 246.33 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-6-methyl-4-(methylamino)-5-oxo-N-propan-2-ylheptanamide is sourced from PubChem (CID 177012659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).