5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide

C12H12BrNO3 — CID 110745445

IUPAC5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide
SMILESCN(CCc1ccco1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H12BrNO3/c1-14(7-6-9-3-2-8-16-9)12(15)10-4-5-11(13)17-10/h2-5,8H,6-7H2,1H3
InChIKeyYDHUOEZKGWQRDV-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.95
Rot. Bonds4

About 5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide

5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide (PubChem CID 110745445) has the molecular formula C12H12BrNO3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide
PubChem CID110745445
Molecular FormulaC12H12BrNO3
Molecular Weight298.14 g/mol
Exact Mass297.00
IUPAC Name5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide
SMILESCN(CCc1ccco1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H12BrNO3/c1-14(7-6-9-3-2-8-16-9)12(15)10-4-5-11(13)17-10/h2-5,8H,6-7H2,1H3
InChIKeyYDHUOEZKGWQRDV-UHFFFAOYSA-N
XLogP2.95
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromofuran-2-carbonyl)-methylamino]propanoic acid
CID 60989511
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81055957
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 60738196
benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate
CID 110733313
N-[2-(furan-2-yl)ethyl]-N-methylcyclobutanecarboxamide
CID 110733326
5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 60631156
3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea
CID 110749038
5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide
CID 53055702
5-chloro-N-methyl-N-(2-phenylethyl)furan-2-carboxamide
CID 103612110
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide (CID 110745445) is 5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide is CN(CCc1ccco1)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide?
The InChIKey is YDHUOEZKGWQRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3/c1-14(7-6-9-3-2-8-16-9)12(15)10-4-5-11(13)17-10/h2-5,8H,6-7H2,1H3.
What are the key properties of 5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 110745445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).