N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide

C12H18BrNO2 — CID 80666211

IUPACN-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCBr)C(C)C)c(C)o1
InChIInChI=1S/C12H18BrNO2/c1-8(2)14(6-5-13)12(15)11-7-9(3)16-10(11)4/h7-8H,5-6H2,1-4H3
InChIKeySACAOHSEIDFZJO-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.14
Rot. Bonds4

About N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide

N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide (PubChem CID 80666211) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide
PubChem CID80666211
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC NameN-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCBr)C(C)C)c(C)o1
InChIInChI=1S/C12H18BrNO2/c1-8(2)14(6-5-13)12(15)11-7-9(3)16-10(11)4/h7-8H,5-6H2,1-4H3
InChIKeySACAOHSEIDFZJO-UHFFFAOYSA-N
XLogP3.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
CID 4153616
methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
CID 54942114
2,5-dimethyl-N,N-bis(2-methylpropyl)furan-3-carboxamide
CID 86978108
N-(2-bromoethyl)-2,4-difluoro-N-propan-2-ylbenzamide
CID 80665263
N-(2-bromoethyl)-4-chloro-2-hydroxy-N-propan-2-ylbenzamide
CID 80666528
N-(2-bromoethyl)-2-chloro-5-hydroxy-N-propan-2-ylbenzamide
CID 106503099
2-bromo-N-(2-bromoethyl)-5-methoxy-N-propan-2-ylbenzamide
CID 80666522
N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide
CID 7417691
N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide
CID 134025956
N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide
CID 63391531
N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
CID 80662981
N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 80666605

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide (CID 80666211) is N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide is Cc1cc(C(=O)N(CCBr)C(C)C)c(C)o1.
What is the InChIKey of N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide?
The InChIKey is SACAOHSEIDFZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-8(2)14(6-5-13)12(15)11-7-9(3)16-10(11)4/h7-8H,5-6H2,1-4H3.
What are the key properties of N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide?
N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide has a molecular weight of 288.19 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 80666211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).