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3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide

C13H17FN2O — CID 113464159

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCNc1c(F)cccc1C(=O)NCC1CC1C
InChIInChI=1S/C13H17FN2O/c1-8-6-9(8)7-16-13(17)10-4-3-5-11(14)12(10)15-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyHWKYIBYYXTXSOQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.25
Rot. Bonds4

About 3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide

3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide (PubChem CID 113464159) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
PubChem CID113464159
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCNc1c(F)cccc1C(=O)NCC1CC1C
InChIInChI=1S/C13H17FN2O/c1-8-6-9(8)7-16-13(17)10-4-3-5-11(14)12(10)15-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyHWKYIBYYXTXSOQ-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide (CID 113464159) is 3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide is CNc1c(F)cccc1C(=O)NCC1CC1C.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide?
The InChIKey is HWKYIBYYXTXSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-6-9(8)7-16-13(17)10-4-3-5-11(14)12(10)15-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide?
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide has a molecular weight of 236.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 113464159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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