1-(2-bromophenoxy)cyclopentane-1-carboxamide

C12H14BrNO2 — CID 82134787

IUPAC1-(2-bromophenoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(Oc2ccccc2Br)CCCC1
InChIInChI=1S/C12H14BrNO2/c13-9-5-1-2-6-10(9)16-12(11(14)15)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H2,14,15)
InChIKeyKVYKLLAFVUHNCR-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.63
Rot. Bonds3

About 1-(2-bromophenoxy)cyclopentane-1-carboxamide

1-(2-bromophenoxy)cyclopentane-1-carboxamide (PubChem CID 82134787) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-(2-bromophenoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenoxy)cyclopentane-1-carboxamide
PubChem CID82134787
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name1-(2-bromophenoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(Oc2ccccc2Br)CCCC1
InChIInChI=1S/C12H14BrNO2/c13-9-5-1-2-6-10(9)16-12(11(14)15)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H2,14,15)
InChIKeyKVYKLLAFVUHNCR-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-bromophenoxy)cyclopentane-1-carboxamide (CID 82134787) is 1-(2-bromophenoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-bromophenoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-bromophenoxy)cyclopentane-1-carboxamide is NC(=O)C1(Oc2ccccc2Br)CCCC1.
What is the InChIKey of 1-(2-bromophenoxy)cyclopentane-1-carboxamide?
The InChIKey is KVYKLLAFVUHNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-9-5-1-2-6-10(9)16-12(11(14)15)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H2,14,15).
What are the key properties of 1-(2-bromophenoxy)cyclopentane-1-carboxamide?
1-(2-bromophenoxy)cyclopentane-1-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 82134787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).