N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide

C10H16BrNO — CID 165454239

IUPACN-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide
SMILESO=C(NCC1CC(Br)C1)C1CCC1
InChIInChI=1S/C10H16BrNO/c11-9-4-7(5-9)6-12-10(13)8-2-1-3-8/h7-9H,1-6H2,(H,12,13)
InChIKeyCROSPBSJECUKBJ-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.08
Rot. Bonds3

About N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide

N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide (PubChem CID 165454239) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide
PubChem CID165454239
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC NameN-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide
SMILESO=C(NCC1CC(Br)C1)C1CCC1
InChIInChI=1S/C10H16BrNO/c11-9-4-7(5-9)6-12-10(13)8-2-1-3-8/h7-9H,1-6H2,(H,12,13)
InChIKeyCROSPBSJECUKBJ-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
CID 106128574
N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
CID 106132228
N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106132587
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-[(3-aminocyclobutyl)methyl]cyclopropanecarboxamide
CID 66004927
N-[(3-bromocyclohexyl)methyl]thiolane-3-carboxamide
CID 106132659
3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789913
3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543
N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106127906
N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
N-[(3-chlorocyclohexyl)methyl]oxane-4-carboxamide
CID 106132213

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide (CID 165454239) is N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide is O=C(NCC1CC(Br)C1)C1CCC1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide?
The InChIKey is CROSPBSJECUKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c11-9-4-7(5-9)6-12-10(13)8-2-1-3-8/h7-9H,1-6H2,(H,12,13).
What are the key properties of N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide?
N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide has a molecular weight of 246.15 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 165454239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).