2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide

C12H14ClN3O2 — CID 106686683

IUPAC2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1ccoc1Cl
InChIInChI=1S/C12H14ClN3O2/c13-11-10(3-8-18-11)12(17)15-4-1-2-6-16-7-5-14-9-16/h3,5,7-9H,1-2,4,6H2,(H,15,17)
InChIKeyXLGGKORLIAAIKI-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.34
Rot. Bonds6

About 2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide

2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide (PubChem CID 106686683) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
PubChem CID106686683
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1ccoc1Cl
InChIInChI=1S/C12H14ClN3O2/c13-11-10(3-8-18-11)12(17)15-4-1-2-6-16-7-5-14-9-16/h3,5,7-9H,1-2,4,6H2,(H,15,17)
InChIKeyXLGGKORLIAAIKI-UHFFFAOYSA-N
XLogP2.34
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321
2-chloro-N-(3-imidazol-1-ylpropyl)-5-[[(2S)-3-methylbutan-2-yl]amino]benzamide
CID 95981751
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
5-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378536
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
CID 107075037

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide (CID 106686683) is 2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide is O=C(NCCCCn1ccnc1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide?
The InChIKey is XLGGKORLIAAIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-11-10(3-8-18-11)12(17)15-4-1-2-6-16-7-5-14-9-16/h3,5,7-9H,1-2,4,6H2,(H,15,17).
What are the key properties of 2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide?
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide is sourced from PubChem (CID 106686683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).