5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

C15H21BrFN3O — CID 62992397

IUPAC5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(N)c(F)cc1Br)CN1CCCC1
InChIInChI=1S/C15H21BrFN3O/c1-10(9-20-4-2-3-5-20)8-19-15(21)11-6-14(18)13(17)7-12(11)16/h6-7,10H,2-5,8-9,18H2,1H3,(H,19,21)
InChIKeyJIBVLUYTFHIULG-UHFFFAOYSA-N
MW358.26 g/mol
LogP2.63
Rot. Bonds5

About 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 62992397) has the molecular formula C15H21BrFN3O and a molecular weight of 358.26 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID62992397
Molecular FormulaC15H21BrFN3O
Molecular Weight358.26 g/mol
Exact Mass357.09
IUPAC Name5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(N)c(F)cc1Br)CN1CCCC1
InChIInChI=1S/C15H21BrFN3O/c1-10(9-20-4-2-3-5-20)8-19-15(21)11-6-14(18)13(17)7-12(11)16/h6-7,10H,2-5,8-9,18H2,1H3,(H,19,21)
InChIKeyJIBVLUYTFHIULG-UHFFFAOYSA-N
XLogP2.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 52.63
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

5-amino-2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 62815269
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981550
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide
CID 113483959
2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55885642
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
3-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 115646380
5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 47308839
2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 106853640
5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62815794

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (CID 62992397) is 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is CC(CNC(=O)c1cc(N)c(F)cc1Br)CN1CCCC1.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is JIBVLUYTFHIULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN3O/c1-10(9-20-4-2-3-5-20)8-19-15(21)11-6-14(18)13(17)7-12(11)16/h6-7,10H,2-5,8-9,18H2,1H3,(H,19,21).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 358.26 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 62992397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).