N-(4-bromocyclohexyl)furan-2-carboxamide

C11H14BrNO2 — CID 114309141

IUPACN-(4-bromocyclohexyl)furan-2-carboxamide
SMILESO=C(NC1CCC(Br)CC1)c1ccco1
InChIInChI=1S/C11H14BrNO2/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h1-2,7-9H,3-6H2,(H,13,14)
InChIKeyVFIAKCSQKNEKJB-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.72
Rot. Bonds2

About N-(4-bromocyclohexyl)furan-2-carboxamide

N-(4-bromocyclohexyl)furan-2-carboxamide (PubChem CID 114309141) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)furan-2-carboxamide
PubChem CID114309141
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-(4-bromocyclohexyl)furan-2-carboxamide
SMILESO=C(NC1CCC(Br)CC1)c1ccco1
InChIInChI=1S/C11H14BrNO2/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h1-2,7-9H,3-6H2,(H,13,14)
InChIKeyVFIAKCSQKNEKJB-UHFFFAOYSA-N
XLogP2.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclooctylfuran-2-carboxamide
CID 790432
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196
N-[4-(2-hydroxyethyl)cyclohexyl]furan-2-carboxamide
CID 115270358
ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate
CID 100613530
methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate
CID 115270327
N-(1,1-dioxothietan-3-yl)furan-2-carboxamide
CID 130935311
N-(3-aminocyclobutyl)furan-2-carboxamide
CID 43594882
N-(thiolan-3-yl)furan-2-carboxamide
CID 103708637
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide
CID 115267746
N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide
CID 106128590

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)furan-2-carboxamide?
The IUPAC name of N-(4-bromocyclohexyl)furan-2-carboxamide (CID 114309141) is N-(4-bromocyclohexyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-bromocyclohexyl)furan-2-carboxamide?
The canonical SMILES for N-(4-bromocyclohexyl)furan-2-carboxamide is O=C(NC1CCC(Br)CC1)c1ccco1.
What is the InChIKey of N-(4-bromocyclohexyl)furan-2-carboxamide?
The InChIKey is VFIAKCSQKNEKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h1-2,7-9H,3-6H2,(H,13,14).
What are the key properties of N-(4-bromocyclohexyl)furan-2-carboxamide?
N-(4-bromocyclohexyl)furan-2-carboxamide has a molecular weight of 272.14 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)furan-2-carboxamide is sourced from PubChem (CID 114309141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).