4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide

C10H14ClNO2 — CID 63308436

IUPAC4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCCl)o1
InChIInChI=1S/C10H14ClNO2/c1-8-4-5-9(14-8)7-12-10(13)3-2-6-11/h4-5H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyGJNOTFYACFZWEX-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.22
Rot. Bonds5

About 4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide

4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide (PubChem CID 63308436) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide
PubChem CID63308436
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCCl)o1
InChIInChI=1S/C10H14ClNO2/c1-8-4-5-9(14-8)7-12-10(13)3-2-6-11/h4-5H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyGJNOTFYACFZWEX-UHFFFAOYSA-N
XLogP2.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide?
The IUPAC name of 4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide (CID 63308436) is 4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide.
What is the SMILES notation for 4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide?
The canonical SMILES for 4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide is Cc1ccc(CNC(=O)CCCCl)o1.
What is the InChIKey of 4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide?
The InChIKey is GJNOTFYACFZWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-8-4-5-9(14-8)7-12-10(13)3-2-6-11/h4-5H,2-3,6-7H2,1H3,(H,12,13).
What are the key properties of 4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide?
4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide has a molecular weight of 215.68 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide is sourced from PubChem (CID 63308436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).