2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide

C14H18ClNO3 — CID 61490026

IUPAC2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc(Cl)c1C=O
InChIInChI=1S/C14H18ClNO3/c1-3-10(4-2)16-14(18)9-19-13-7-5-6-12(15)11(13)8-17/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyTYPAYILNYDFCRV-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.84
Rot. Bonds7

About 2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide

2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide (PubChem CID 61490026) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
PubChem CID61490026
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc(Cl)c1C=O
InChIInChI=1S/C14H18ClNO3/c1-3-10(4-2)16-14(18)9-19-13-7-5-6-12(15)11(13)8-17/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyTYPAYILNYDFCRV-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'}

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Related Compounds

N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide
CID 60792895
2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide
CID 62573467
2-chloro-6-(2-methylbutoxy)benzaldehyde
CID 62104198
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61487053
methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate
CID 107341978
2-methyl-3-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoic acid
CID 82826951
2-(3-formylphenoxy)-N-pentan-3-ylacetamide
CID 60624295
2-chloro-6-heptoxybenzaldehyde
CID 45282902
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide
CID 65469961
2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
CID 61486944
2-chloro-6-(2,2-diethoxyethoxy)benzaldehyde
CID 114459538

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide (CID 61490026) is 2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1cccc(Cl)c1C=O.
What is the InChIKey of 2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide?
The InChIKey is TYPAYILNYDFCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-10(4-2)16-14(18)9-19-13-7-5-6-12(15)11(13)8-17/h5-8,10H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide?
2-(3-chloro-2-formylphenoxy)-N-pentan-3-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-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide is sourced from PubChem (CID 61490026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).