3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide

C10H14ClNO2 — CID 43697661

IUPAC3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)CCCl)o1
InChIInChI=1S/C10H14ClNO2/c1-7-3-4-9(14-7)8(2)12-10(13)5-6-11/h3-4,8H,5-6H2,1-2H3,(H,12,13)
InChIKeyYMWOWVKIIDOVJM-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.39
Rot. Bonds4

About 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide

3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide (PubChem CID 43697661) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
PubChem CID43697661
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)CCCl)o1
InChIInChI=1S/C10H14ClNO2/c1-7-3-4-9(14-7)8(2)12-10(13)5-6-11/h3-4,8H,5-6H2,1-2H3,(H,12,13)
InChIKeyYMWOWVKIIDOVJM-UHFFFAOYSA-N
XLogP2.39
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991
3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51187923
ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 38468933
3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51329039
N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51314573
2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 47025995
2-(4-fluorophenyl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51922977
3-indol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 47018589
3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide
CID 31002408
2-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 94602272
2-(2-aminophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 61138769
N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 47110602

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide (CID 43697661) is 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide is Cc1ccc(C(C)NC(=O)CCCl)o1.
What is the InChIKey of 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
The InChIKey is YMWOWVKIIDOVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7-3-4-9(14-7)8(2)12-10(13)5-6-11/h3-4,8H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide has a molecular weight of 215.68 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 43697661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).