N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide

C14H17BrFNO — CID 123192376

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide
SMILESCC(=O)N(Cc1ccc(F)c(Br)c1)C1CCCC1
InChIInChI=1S/C14H17BrFNO/c1-10(18)17(12-4-2-3-5-12)9-11-6-7-14(16)13(15)8-11/h6-8,12H,2-5,9H2,1H3
InChIKeySCUPZYRAXBNCBE-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.88
Rot. Bonds3

About N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide

N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide (PubChem CID 123192376) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide
PubChem CID123192376
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide
SMILESCC(=O)N(Cc1ccc(F)c(Br)c1)C1CCCC1
InChIInChI=1S/C14H17BrFNO/c1-10(18)17(12-4-2-3-5-12)9-11-6-7-14(16)13(15)8-11/h6-8,12H,2-5,9H2,1H3
InChIKeySCUPZYRAXBNCBE-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide (CID 123192376) is N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide is CC(=O)N(Cc1ccc(F)c(Br)c1)C1CCCC1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide?
The InChIKey is SCUPZYRAXBNCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-10(18)17(12-4-2-3-5-12)9-11-6-7-14(16)13(15)8-11/h6-8,12H,2-5,9H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide?
N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide has a molecular weight of 314.20 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentylacetamide is sourced from PubChem (CID 123192376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).