N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide

C15H19BrFNO2 — CID 111464497

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)CC1(O)CCCC1
InChIInChI=1S/C15H19BrFNO2/c1-18(10-11-8-12(16)4-5-13(11)17)14(19)9-15(20)6-2-3-7-15/h4-5,8,20H,2-3,6-7,9-10H2,1H3
InChIKeyCDNRSJKRNNBANK-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.24
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide (PubChem CID 111464497) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
PubChem CID111464497
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)CC1(O)CCCC1
InChIInChI=1S/C15H19BrFNO2/c1-18(10-11-8-12(16)4-5-13(11)17)14(19)9-15(20)6-2-3-7-15/h4-5,8,20H,2-3,6-7,9-10H2,1H3
InChIKeyCDNRSJKRNNBANK-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide (CID 111464497) is N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide is CN(Cc1cc(Br)ccc1F)C(=O)CC1(O)CCCC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide?
The InChIKey is CDNRSJKRNNBANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-18(10-11-8-12(16)4-5-13(11)17)14(19)9-15(20)6-2-3-7-15/h4-5,8,20H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide has a molecular weight of 344.22 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide is sourced from PubChem (CID 111464497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).