4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

C15H21F2N3O — CID 63185116

IUPAC4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2cc(F)c(N)c(F)c2)C1
InChIInChI=1S/C15H21F2N3O/c1-9(2)20-4-3-10(8-20)7-19-15(21)11-5-12(16)14(18)13(17)6-11/h5-6,9-10H,3-4,7-8,18H2,1-2H3,(H,19,21)
InChIKeyJGYZJFCZRKIKPR-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.01
Rot. Bonds4

About 4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 63185116) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
PubChem CID63185116
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2cc(F)c(N)c(F)c2)C1
InChIInChI=1S/C15H21F2N3O/c1-9(2)20-4-3-10(8-20)7-19-15(21)11-5-12(16)14(18)13(17)6-11/h5-6,9-10H,3-4,7-8,18H2,1-2H3,(H,19,21)
InChIKeyJGYZJFCZRKIKPR-UHFFFAOYSA-N
XLogP2.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.01
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

4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60598298
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 60598287
3-(2-aminoethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 62593153
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
CID 103764726
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 115770297
4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 63103599
4-amino-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243278

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (CID 63185116) is 4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is CC(C)N1CCC(CNC(=O)c2cc(F)c(N)c(F)c2)C1.
What is the InChIKey of 4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is JGYZJFCZRKIKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-9(2)20-4-3-10(8-20)7-19-15(21)11-5-12(16)14(18)13(17)6-11/h5-6,9-10H,3-4,7-8,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 297.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 63185116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).