2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C19H20BrFN2O — CID 60513256

IUPAC2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCCC1c1cccc(Br)c1)NCc1ccc(F)cc1
InChIInChI=1S/C19H20BrFN2O/c20-16-4-1-3-15(11-16)18-5-2-10-23(18)13-19(24)22-12-14-6-8-17(21)9-7-14/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,22,24)
InChIKeyIBJIQFVUBKJCGP-UHFFFAOYSA-N
MW391.28 g/mol
LogP4.04
Rot. Bonds5

About 2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 60513256) has the molecular formula C19H20BrFN2O and a molecular weight of 391.28 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID60513256
Molecular FormulaC19H20BrFN2O
Molecular Weight391.28 g/mol
Exact Mass390.07
IUPAC Name2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCCC1c1cccc(Br)c1)NCc1ccc(F)cc1
InChIInChI=1S/C19H20BrFN2O/c20-16-4-1-3-15(11-16)18-5-2-10-23(18)13-19(24)22-12-14-6-8-17(21)9-7-14/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,22,24)
InChIKeyIBJIQFVUBKJCGP-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 60513256) is 2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1CCCC1c1cccc(Br)c1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is IBJIQFVUBKJCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O/c20-16-4-1-3-15(11-16)18-5-2-10-23(18)13-19(24)22-12-14-6-8-17(21)9-7-14/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,22,24).
What are the key properties of 2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 391.28 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 60513256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).