N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide

C12H16BrNO2 — CID 114758325

IUPACN-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1(CCBr)CC1
InChIInChI=1S/C12H16BrNO2/c1-9-2-7-16-10(9)11(15)14-8-12(3-4-12)5-6-13/h2,7H,3-6,8H2,1H3,(H,14,15)
InChIKeyOIUJSPPSJDWQIR-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.88
Rot. Bonds5

About N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide (PubChem CID 114758325) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide
PubChem CID114758325
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1(CCBr)CC1
InChIInChI=1S/C12H16BrNO2/c1-9-2-7-16-10(9)11(15)14-8-12(3-4-12)5-6-13/h2,7H,3-6,8H2,1H3,(H,14,15)
InChIKeyOIUJSPPSJDWQIR-UHFFFAOYSA-N
XLogP2.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106856232
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorofuran-3-carboxamide
CID 106690207
3-methyl-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 24597403
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114758209
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-chloro-2-methylbenzamide
CID 107100287
N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
CID 106307161
5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
CID 114758312
N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119332014
N-(2-aminobutyl)-3-methylfuran-2-carboxamide
CID 63732617

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide (CID 114758325) is N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCC1(CCBr)CC1.
What is the InChIKey of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide?
The InChIKey is OIUJSPPSJDWQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9-2-7-16-10(9)11(15)14-8-12(3-4-12)5-6-13/h2,7H,3-6,8H2,1H3,(H,14,15).
What are the key properties of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide?
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 114758325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).