N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide

C14H17Br2NO2 — CID 11841308

IUPACN-cyclopentyl-2-(2,4-dibromophenoxy)propanamide
SMILESCC(Oc1ccc(Br)cc1Br)C(=O)NC1CCCC1
InChIInChI=1S/C14H17Br2NO2/c1-9(14(18)17-11-4-2-3-5-11)19-13-7-6-10(15)8-12(13)16/h6-9,11H,2-5H2,1H3,(H,17,18)
InChIKeyGGNBSBUKMLUIQR-UHFFFAOYSA-N
MW391.10 g/mol
LogP4.04
Rot. Bonds4

About N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide

N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide (PubChem CID 11841308) has the molecular formula C14H17Br2NO2 and a molecular weight of 391.10 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,4-dibromophenoxy)propanamide
PubChem CID11841308
Molecular FormulaC14H17Br2NO2
Molecular Weight391.10 g/mol
Exact Mass388.96
IUPAC NameN-cyclopentyl-2-(2,4-dibromophenoxy)propanamide
SMILESCC(Oc1ccc(Br)cc1Br)C(=O)NC1CCCC1
InChIInChI=1S/C14H17Br2NO2/c1-9(14(18)17-11-4-2-3-5-11)19-13-7-6-10(15)8-12(13)16/h6-9,11H,2-5H2,1H3,(H,17,18)
InChIKeyGGNBSBUKMLUIQR-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.10
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide?
The IUPAC name of N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide (CID 11841308) is N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide?
The canonical SMILES for N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide is CC(Oc1ccc(Br)cc1Br)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide?
The InChIKey is GGNBSBUKMLUIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO2/c1-9(14(18)17-11-4-2-3-5-11)19-13-7-6-10(15)8-12(13)16/h6-9,11H,2-5H2,1H3,(H,17,18).
What are the key properties of N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide?
N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide has a molecular weight of 391.10 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide is sourced from PubChem (CID 11841308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).