5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide

C10H14BrNO3 — CID 111695876

IUPAC5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
SMILESCC(O)CCN(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3/c1-7(13)5-6-12(2)10(14)8-3-4-9(11)15-8/h3-4,7,13H,5-6H2,1-2H3
InChIKeyRKNABZADCKTIAV-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.88
Rot. Bonds4

About 5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide

5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide (PubChem CID 111695876) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
PubChem CID111695876
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
SMILESCC(O)CCN(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3/c1-7(13)5-6-12(2)10(14)8-3-4-9(11)15-8/h3-4,7,13H,5-6H2,1-2H3
InChIKeyRKNABZADCKTIAV-UHFFFAOYSA-N
XLogP1.88
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromofuran-2-carbonyl)-methylamino]propanoic acid
CID 60989511
5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 60653081
5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81055957
5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide
CID 110745445
5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60733156
5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695820
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920
5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695665
5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide
CID 63393502
3-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]amino]-2-methylpropanoic acid
CID 119236875
5-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 61343308
3-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]-methylamino]propanoic acid
CID 119232624

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide (CID 111695876) is 5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide is CC(O)CCN(C)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide?
The InChIKey is RKNABZADCKTIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-7(13)5-6-12(2)10(14)8-3-4-9(11)15-8/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide?
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide has a molecular weight of 276.13 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 111695876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).