N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide

C13H18BrNO2 — CID 106134580

IUPACN-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(Br)CC2)co1
InChIInChI=1S/C13H18BrNO2/c1-9-6-11(8-17-9)13(16)15-7-10-2-4-12(14)5-3-10/h6,8,10,12H,2-5,7H2,1H3,(H,15,16)
InChIKeyHEIGMRNTZWRPPD-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.27
Rot. Bonds3

About N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide

N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide (PubChem CID 106134580) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide
PubChem CID106134580
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(Br)CC2)co1
InChIInChI=1S/C13H18BrNO2/c1-9-6-11(8-17-9)13(16)15-7-10-2-4-12(14)5-3-10/h6,8,10,12H,2-5,7H2,1H3,(H,15,16)
InChIKeyHEIGMRNTZWRPPD-UHFFFAOYSA-N
XLogP3.27
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.27
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-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide
CID 114823305
N-[(3-chlorocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106132172
N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528
3,5-dibromo-N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134583
N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide
CID 114821777
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106134544
N-[(4-bromocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106134799
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
CID 114148085
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106128022
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
N-[(4-bromocyclohexyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114148088

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide (CID 106134580) is N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NCC2CCC(Br)CC2)co1.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide?
The InChIKey is HEIGMRNTZWRPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9-6-11(8-17-9)13(16)15-7-10-2-4-12(14)5-3-10/h6,8,10,12H,2-5,7H2,1H3,(H,15,16).
What are the key properties of N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide?
N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 106134580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).