5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide

C12H17BrN2O3 — CID 18155632

IUPAC5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H17BrN2O3/c1-4-15(7-11(16)14-8(2)3)12(17)9-5-6-10(13)18-9/h5-6,8H,4,7H2,1-3H3,(H,14,16)
InChIKeyAIRULUBSBMQDBL-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.03
Rot. Bonds5

About 5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide

5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide (PubChem CID 18155632) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
PubChem CID18155632
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H17BrN2O3/c1-4-15(7-11(16)14-8(2)3)12(17)9-5-6-10(13)18-9/h5-6,8H,4,7H2,1-3H3,(H,14,16)
InChIKeyAIRULUBSBMQDBL-UHFFFAOYSA-N
XLogP2.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 51182582
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 2552428
5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
CID 80660635
5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47100210
5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 60653081
5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide
CID 102993497
3-bromo-N-ethyl-2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 106544231
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
5-bromo-N,N-dibutylfuran-2-carboxamide
CID 3627667
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide (CID 18155632) is 5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide?
The InChIKey is AIRULUBSBMQDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-4-15(7-11(16)14-8(2)3)12(17)9-5-6-10(13)18-9/h5-6,8H,4,7H2,1-3H3,(H,14,16).
What are the key properties of 5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide?
5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide has a molecular weight of 317.18 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 18155632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).