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

C15H22FN3O — CID 63109999

IUPAC2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2ccc(F)cc2N)C1
InChIInChI=1S/C15H22FN3O/c1-10(2)19-6-5-11(9-19)8-18-15(20)13-4-3-12(16)7-14(13)17/h3-4,7,10-11H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyPBBXWXSXNTUHBT-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.87
Rot. Bonds4

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

2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 63109999) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
PubChem CID63109999
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2ccc(F)cc2N)C1
InChIInChI=1S/C15H22FN3O/c1-10(2)19-6-5-11(9-19)8-18-15(20)13-4-3-12(16)7-14(13)17/h3-4,7,10-11H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyPBBXWXSXNTUHBT-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.87
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

2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293
4-amino-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243278
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63185116
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114371851
2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004255
5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
CID 115330698
2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 114145929
4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 63103599

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (CID 63109999) is 2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is CC(C)N1CCC(CNC(=O)c2ccc(F)cc2N)C1.
What is the InChIKey of 2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is PBBXWXSXNTUHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10(2)19-6-5-11(9-19)8-18-15(20)13-4-3-12(16)7-14(13)17/h3-4,7,10-11H,5-6,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 279.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 63109999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).