3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide

C15H22FN3O — CID 62991871

IUPAC3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCNc1c(F)cccc1C(=O)NCCCN1CCCC1
InChIInChI=1S/C15H22FN3O/c1-17-14-12(6-4-7-13(14)16)15(20)18-8-5-11-19-9-2-3-10-19/h4,6-7,17H,2-3,5,8-11H2,1H3,(H,18,20)
InChIKeyKYTPJGLFVDDSNY-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.08
Rot. Bonds6

About 3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide

3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 62991871) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID62991871
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCNc1c(F)cccc1C(=O)NCCCN1CCCC1
InChIInChI=1S/C15H22FN3O/c1-17-14-12(6-4-7-13(14)16)15(20)18-8-5-11-19-9-2-3-10-19/h4,6-7,17H,2-3,5,8-11H2,1H3,(H,18,20)
InChIKeyKYTPJGLFVDDSNY-UHFFFAOYSA-N
XLogP2.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662231
4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 123849951
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
CID 55100061
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CID 110444095
N-[2-(azepan-1-yl)ethyl]-3-bromo-2-fluorobenzamide
CID 106547835
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 106547752
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide
CID 62650175
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide
CID 62989713

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 62991871) is 3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide is CNc1c(F)cccc1C(=O)NCCCN1CCCC1.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is KYTPJGLFVDDSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-17-14-12(6-4-7-13(14)16)15(20)18-8-5-11-19-9-2-3-10-19/h4,6-7,17H,2-3,5,8-11H2,1H3,(H,18,20).
What are the key properties of 3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 279.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 62991871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).