N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide

C12H16BrNO2 — CID 114823305

IUPACN-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2Br)co1
InChIInChI=1S/C12H16BrNO2/c1-8-5-10(7-16-8)12(15)14-6-9-3-2-4-11(9)13/h5,7,9,11H,2-4,6H2,1H3,(H,14,15)
InChIKeyYYDDQORFADRPCE-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.88
Rot. Bonds3

About N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide

N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide (PubChem CID 114823305) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide
PubChem CID114823305
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2Br)co1
InChIInChI=1S/C12H16BrNO2/c1-8-5-10(7-16-8)12(15)14-6-9-3-2-4-11(9)13/h5,7,9,11H,2-4,6H2,1H3,(H,14,15)
InChIKeyYYDDQORFADRPCE-UHFFFAOYSA-N
XLogP2.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.88
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-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide
CID 114821777
N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106134580
N-[(3-chlorocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106132172
N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
CID 114313873
5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
CID 107966151
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313884
4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113275372
N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide
CID 114312139
N-[(2-bromocyclopentyl)methyl]-3-chloro-4-iodobenzamide
CID 103212533
N-[(2-bromocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113275114

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide (CID 114823305) is N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NCC2CCCC2Br)co1.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide?
The InChIKey is YYDDQORFADRPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8-5-10(7-16-8)12(15)14-6-9-3-2-4-11(9)13/h5,7,9,11H,2-4,6H2,1H3,(H,14,15).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide?
N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114823305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).