3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide

C11H16ClNO2 — CID 62728492

IUPAC3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
SMILESCC(Cc1ccco1)NC(=O)C(C)CCl
InChIInChI=1S/C11H16ClNO2/c1-8(7-12)11(14)13-9(2)6-10-4-3-5-15-10/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)
InChIKeyJRYINBAKYWIDDF-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.20
Rot. Bonds5

About 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide

3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide (PubChem CID 62728492) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
PubChem CID62728492
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
SMILESCC(Cc1ccco1)NC(=O)C(C)CCl
InChIInChI=1S/C11H16ClNO2/c1-8(7-12)11(14)13-9(2)6-10-4-3-5-15-10/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)
InChIKeyJRYINBAKYWIDDF-UHFFFAOYSA-N
XLogP2.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.20
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-(furan-2-yl)propan-2-yl]-2-methylpropanamide 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

(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylsulfonylpropanamide
CID 94171682
2-amino-N-[1-(furan-2-yl)propan-2-yl]pentanamide
CID 43705248
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
(2S)-2-amino-N-[1-(furan-2-yl)propan-2-yl]hexanamide
CID 103950106
2-cyano-N-[1-(furan-2-yl)propan-2-yl]-2-phenylacetamide
CID 62876840
2-amino-N-[1-(furan-2-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 113279094
N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084172
2-[1-(furan-2-yl)propan-2-ylamino]butanamide
CID 62899658
4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013
1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
CID 47171952
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide (CID 62728492) is 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide is CC(Cc1ccco1)NC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide?
The InChIKey is JRYINBAKYWIDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-8(7-12)11(14)13-9(2)6-10-4-3-5-15-10/h3-5,8-9H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide?
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide has a molecular weight of 229.71 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 62728492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).