N-(3-bromophenyl)cyclopentanecarboxamide

C12H14BrNO — CID 897912

IUPACN-(3-bromophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C12H14BrNO/c13-10-6-3-7-11(8-10)14-12(15)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,14,15)
InChIKeyWZJFJXUSIWCCRF-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.58
Rot. Bonds2

About N-(3-bromophenyl)cyclopentanecarboxamide

N-(3-bromophenyl)cyclopentanecarboxamide (PubChem CID 897912) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-(3-bromophenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)cyclopentanecarboxamide
PubChem CID897912
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-(3-bromophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C12H14BrNO/c13-10-6-3-7-11(8-10)14-12(15)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,14,15)
InChIKeyWZJFJXUSIWCCRF-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)cyclopentanecarboxamide?
The IUPAC name of N-(3-bromophenyl)cyclopentanecarboxamide (CID 897912) is N-(3-bromophenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-bromophenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-bromophenyl)cyclopentanecarboxamide is O=C(Nc1cccc(Br)c1)C1CCCC1.
What is the InChIKey of N-(3-bromophenyl)cyclopentanecarboxamide?
The InChIKey is WZJFJXUSIWCCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-10-6-3-7-11(8-10)14-12(15)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,14,15).
What are the key properties of N-(3-bromophenyl)cyclopentanecarboxamide?
N-(3-bromophenyl)cyclopentanecarboxamide has a molecular weight of 268.15 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)cyclopentanecarboxamide is sourced from PubChem (CID 897912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).