5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide

C13H18BrNO2 — CID 60733156

IUPAC5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
SMILESCC(C)CCN(C(=O)c1ccc(Br)o1)C1CC1
InChIInChI=1S/C13H18BrNO2/c1-9(2)7-8-15(10-3-4-10)13(16)11-5-6-12(14)17-11/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyCOTIAIUHLGPDKM-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.69
Rot. Bonds5

About 5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide

5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide (PubChem CID 60733156) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
PubChem CID60733156
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
SMILESCC(C)CCN(C(=O)c1ccc(Br)o1)C1CC1
InChIInChI=1S/C13H18BrNO2/c1-9(2)7-8-15(10-3-4-10)13(16)11-5-6-12(14)17-11/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyCOTIAIUHLGPDKM-UHFFFAOYSA-N
XLogP3.69
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide
CID 112725800
(2S)-3-[(5-bromofuran-2-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 99851755
5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 60653081
5-bromo-N-cyclopropyl-N-ethylfuran-2-carboxamide
CID 60729086
5-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 61343308
N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60732998
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 102862780
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 60666540
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 55774448

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide (CID 60733156) is 5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide is CC(C)CCN(C(=O)c1ccc(Br)o1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide?
The InChIKey is COTIAIUHLGPDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9(2)7-8-15(10-3-4-10)13(16)11-5-6-12(14)17-11/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide?
5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide is sourced from PubChem (CID 60733156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).