2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide

C9H11ClN2O3 — CID 61471395

IUPAC2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide
SMILESO=C(CCl)NC(=O)NCCc1ccco1
InChIInChI=1S/C9H11ClN2O3/c10-6-8(13)12-9(14)11-4-3-7-2-1-5-15-7/h1-2,5H,3-4,6H2,(H2,11,12,13,14)
InChIKeyNNVAXTXJAQSZDX-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.89
Rot. Bonds4

About 2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide

2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide (PubChem CID 61471395) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide
PubChem CID61471395
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide
SMILESO=C(CCl)NC(=O)NCCc1ccco1
InChIInChI=1S/C9H11ClN2O3/c10-6-8(13)12-9(14)11-4-3-7-2-1-5-15-7/h1-2,5H,3-4,6H2,(H2,11,12,13,14)
InChIKeyNNVAXTXJAQSZDX-UHFFFAOYSA-N
XLogP0.89
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933243
4-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobut-2-enoic acid
CID 54954888
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
3-(ethylamino)-N-[2-(furan-2-yl)ethyl]propanamide
CID 62831565
2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61471341
1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea
CID 54954990
2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide
CID 18111286
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]acetamide
CID 60847606
2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463732
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide (CID 61471395) is 2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide is O=C(CCl)NC(=O)NCCc1ccco1.
What is the InChIKey of 2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide?
The InChIKey is NNVAXTXJAQSZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c10-6-8(13)12-9(14)11-4-3-7-2-1-5-15-7/h1-2,5H,3-4,6H2,(H2,11,12,13,14).
What are the key properties of 2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide?
2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide has a molecular weight of 230.65 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide is sourced from PubChem (CID 61471395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).