N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide

C14H18BrNO — CID 2918793

IUPACN-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO/c1-10(11-6-8-13(15)9-7-11)16-14(17)12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,16,17)
InChIKeyUDJWMOZVZIAVLX-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.82
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide

N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide (PubChem CID 2918793) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide
PubChem CID2918793
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO/c1-10(11-6-8-13(15)9-7-11)16-14(17)12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,16,17)
InChIKeyUDJWMOZVZIAVLX-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide (CID 2918793) is N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide is CC(NC(=O)C1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide?
The InChIKey is UDJWMOZVZIAVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10(11-6-8-13(15)9-7-11)16-14(17)12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide?
N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide has a molecular weight of 296.21 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 2918793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).