3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide

C15H19F2N3O — CID 79758259

IUPAC3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
SMILESNc1ccc(F)c(C(=O)NCC2CCN(C3CC3)C2)c1F
InChIInChI=1S/C15H19F2N3O/c16-11-3-4-12(18)14(17)13(11)15(21)19-7-9-5-6-20(8-9)10-1-2-10/h3-4,9-10H,1-2,5-8,18H2,(H,19,21)
InChIKeyQHOXEQLGIOVHKB-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.76
Rot. Bonds4

About 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide

3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide (PubChem CID 79758259) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
PubChem CID79758259
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
SMILESNc1ccc(F)c(C(=O)NCC2CCN(C3CC3)C2)c1F
InChIInChI=1S/C15H19F2N3O/c16-11-3-4-12(18)14(17)13(11)15(21)19-7-9-5-6-20(8-9)10-1-2-10/h3-4,9-10H,1-2,5-8,18H2,(H,19,21)
InChIKeyQHOXEQLGIOVHKB-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
CID 79772808
3-amino-N-(cyclohexylmethyl)-2,6-difluorobenzamide
CID 79773789
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 61118366
3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide
CID 79773802
3-amino-2,6-difluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 79772902
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
CID 16895608
3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 79773461
3-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-2,6-difluorobenzamide
CID 81041559
4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
CID 119854816
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide (CID 79758259) is 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide is Nc1ccc(F)c(C(=O)NCC2CCN(C3CC3)C2)c1F.
What is the InChIKey of 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide?
The InChIKey is QHOXEQLGIOVHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c16-11-3-4-12(18)14(17)13(11)15(21)19-7-9-5-6-20(8-9)10-1-2-10/h3-4,9-10H,1-2,5-8,18H2,(H,19,21).
What are the key properties of 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide?
3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide has a molecular weight of 295.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide is sourced from PubChem (CID 79758259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).