2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide

C14H18ClNO3 — CID 60734519

IUPAC2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc(Cl)cc1C=O
InChIInChI=1S/C14H18ClNO3/c1-3-4-10(2)16-14(18)9-19-13-6-5-12(15)7-11(13)8-17/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyAVZGPEUDHZXUOO-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.84
Rot. Bonds7

About 2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide

2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide (PubChem CID 60734519) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
PubChem CID60734519
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc(Cl)cc1C=O
InChIInChI=1S/C14H18ClNO3/c1-3-4-10(2)16-14(18)9-19-13-6-5-12(15)7-11(13)8-17/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyAVZGPEUDHZXUOO-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide 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

(E)-3-[2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorophenyl]prop-2-enoic acid
CID 43324972
2-(2-carbamothioyl-5-chlorophenoxy)-N-pentan-2-ylacetamide
CID 114323209
2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
CID 30145706
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 28913391
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634222
2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201772
N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
CID 43277958
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
CID 30147306
2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide
CID 115919130

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide (CID 60734519) is 2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1ccc(Cl)cc1C=O.
What is the InChIKey of 2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide?
The InChIKey is AVZGPEUDHZXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-4-10(2)16-14(18)9-19-13-6-5-12(15)7-11(13)8-17/h5-8,10H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide?
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide has a molecular weight of 283.75 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide is sourced from PubChem (CID 60734519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).