3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide

C10H14ClNO2 — CID 115162657

IUPAC3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCCl)o1
InChIInChI=1S/C10H14ClNO2/c1-8-2-3-9(14-8)5-7-12-10(13)4-6-11/h2-3H,4-7H2,1H3,(H,12,13)
InChIKeyGMTMISCUXOWGGR-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.88
Rot. Bonds5

About 3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide

3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide (PubChem CID 115162657) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
PubChem CID115162657
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCCl)o1
InChIInChI=1S/C10H14ClNO2/c1-8-2-3-9(14-8)5-7-12-10(13)4-6-11/h2-3H,4-7H2,1H3,(H,12,13)
InChIKeyGMTMISCUXOWGGR-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 110872482
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
CID 4780000
4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63308436
2-amino-4-[2-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181165
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 70720397
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151
methyl 2-[2-(5-methylfuran-2-yl)ethylcarbamoyl]butanoate
CID 115187971
3-chloro-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115162661
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 91769005
1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one
CID 115235079
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501
1-(hydroxymethyl)-N-[2-(5-methylfuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 115182418

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide (CID 115162657) is 3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide is Cc1ccc(CCNC(=O)CCCl)o1.
What is the InChIKey of 3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide?
The InChIKey is GMTMISCUXOWGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-8-2-3-9(14-8)5-7-12-10(13)4-6-11/h2-3H,4-7H2,1H3,(H,12,13).
What are the key properties of 3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide?
3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide has a molecular weight of 215.68 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 115162657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).