1-(3-bromophenoxy)cyclopentane-1-carboxamide

C12H14BrNO2 — CID 82134789

IUPAC1-(3-bromophenoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(Oc2cccc(Br)c2)CCCC1
InChIInChI=1S/C12H14BrNO2/c13-9-4-3-5-10(8-9)16-12(11(14)15)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H2,14,15)
InChIKeyMJRNZSQWSCEHSR-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.63
Rot. Bonds3

About 1-(3-bromophenoxy)cyclopentane-1-carboxamide

1-(3-bromophenoxy)cyclopentane-1-carboxamide (PubChem CID 82134789) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-(3-bromophenoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenoxy)cyclopentane-1-carboxamide
PubChem CID82134789
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name1-(3-bromophenoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(Oc2cccc(Br)c2)CCCC1
InChIInChI=1S/C12H14BrNO2/c13-9-4-3-5-10(8-9)16-12(11(14)15)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H2,14,15)
InChIKeyMJRNZSQWSCEHSR-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-(3-bromophenoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-bromophenoxy)cyclopentane-1-carboxamide (CID 82134789) is 1-(3-bromophenoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenoxy)cyclopentane-1-carboxamide is NC(=O)C1(Oc2cccc(Br)c2)CCCC1.
What is the InChIKey of 1-(3-bromophenoxy)cyclopentane-1-carboxamide?
The InChIKey is MJRNZSQWSCEHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-9-4-3-5-10(8-9)16-12(11(14)15)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H2,14,15).
What are the key properties of 1-(3-bromophenoxy)cyclopentane-1-carboxamide?
1-(3-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-(3-bromophenoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 82134789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).