N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide

C14H24BrNO — CID 106128574

IUPACN-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
SMILESO=C(NCC1CCC(Br)C1)C1CCCCCC1
InChIInChI=1S/C14H24BrNO/c15-13-8-7-11(9-13)10-16-14(17)12-5-3-1-2-4-6-12/h11-13H,1-10H2,(H,16,17)
InChIKeyOUYIOJDBLIMPHA-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.64
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide

N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide (PubChem CID 106128574) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
PubChem CID106128574
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
SMILESO=C(NCC1CCC(Br)C1)C1CCCCCC1
InChIInChI=1S/C14H24BrNO/c15-13-8-7-11(9-13)10-16-14(17)12-5-3-1-2-4-6-12/h11-13H,1-10H2,(H,16,17)
InChIKeyOUYIOJDBLIMPHA-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide (CID 106128574) is N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide is O=C(NCC1CCC(Br)C1)C1CCCCCC1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide?
The InChIKey is OUYIOJDBLIMPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c15-13-8-7-11(9-13)10-16-14(17)12-5-3-1-2-4-6-12/h11-13H,1-10H2,(H,16,17).
What are the key properties of N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide?
N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide has a molecular weight of 302.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide is sourced from PubChem (CID 106128574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).