5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide

C11H16ClNO2 — CID 61422456

IUPAC5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide
SMILESCN(Cc1ccoc1)C(=O)CCCCCl
InChIInChI=1S/C11H16ClNO2/c1-13(8-10-5-7-15-9-10)11(14)4-2-3-6-12/h5,7,9H,2-4,6,8H2,1H3
InChIKeyRHECVQSPQKGVMO-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.65
Rot. Bonds6

About 5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide

5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide (PubChem CID 61422456) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide
PubChem CID61422456
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide
SMILESCN(Cc1ccoc1)C(=O)CCCCCl
InChIInChI=1S/C11H16ClNO2/c1-13(8-10-5-7-15-9-10)11(14)4-2-3-6-12/h5,7,9H,2-4,6,8H2,1H3
InChIKeyRHECVQSPQKGVMO-UHFFFAOYSA-N
XLogP2.65
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 62834996
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
2-ethoxy-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61216289
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589
4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide
CID 116816025
4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide
CID 63307571
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825
2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61422064
N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide
CID 131924744
N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
CID 107024417

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide?
The IUPAC name of 5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide (CID 61422456) is 5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide is CN(Cc1ccoc1)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide?
The InChIKey is RHECVQSPQKGVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-13(8-10-5-7-15-9-10)11(14)4-2-3-6-12/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide?
5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide has a molecular weight of 229.71 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide is sourced from PubChem (CID 61422456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).