3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

C15H20BrFN2O — CID 75503637

IUPAC3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCN1CCC(CNC(=O)CCc2cc(F)ccc2Br)C1
InChIInChI=1S/C15H20BrFN2O/c1-19-7-6-11(10-19)9-18-15(20)5-2-12-8-13(17)3-4-14(12)16/h3-4,8,11H,2,5-7,9-10H2,1H3,(H,18,20)
InChIKeyLNMFQWNUCUGDLO-UHFFFAOYSA-N
MW343.24 g/mol
LogP2.59
Rot. Bonds5

About 3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 75503637) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
PubChem CID75503637
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCN1CCC(CNC(=O)CCc2cc(F)ccc2Br)C1
InChIInChI=1S/C15H20BrFN2O/c1-19-7-6-11(10-19)9-18-15(20)5-2-12-8-13(17)3-4-14(12)16/h3-4,8,11H,2,5-7,9-10H2,1H3,(H,18,20)
InChIKeyLNMFQWNUCUGDLO-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 122148776
3-(2-bromo-5-fluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 75520435
N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide
CID 86788556
N-[(2-bromo-5-fluorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443782
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide
CID 95212961
4-bromo-3-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 103872705
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050
4-bromo-3-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide
CID 124572243
2-bromo-4-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 54927018
N-[[1-[(2-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80552381
2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 61400257

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (CID 75503637) is 3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is CN1CCC(CNC(=O)CCc2cc(F)ccc2Br)C1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is LNMFQWNUCUGDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-19-7-6-11(10-19)9-18-15(20)5-2-12-8-13(17)3-4-14(12)16/h3-4,8,11H,2,5-7,9-10H2,1H3,(H,18,20).
What are the key properties of 3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 343.24 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 75503637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).