2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide

C16H20ClNO3 — CID 62573467

IUPAC2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide
SMILESO=Cc1c(Cl)cccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H20ClNO3/c17-14-8-5-9-15(13(14)10-19)21-11-16(20)18-12-6-3-1-2-4-7-12/h5,8-10,12H,1-4,6-7,11H2,(H,18,20)
InChIKeyGICUPKLWTPUUMS-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.37
Rot. Bonds5

About 2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide

2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide (PubChem CID 62573467) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide
PubChem CID62573467
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide
SMILESO=Cc1c(Cl)cccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H20ClNO3/c17-14-8-5-9-15(13(14)10-19)21-11-16(20)18-12-6-3-1-2-4-7-12/h5,8-10,12H,1-4,6-7,11H2,(H,18,20)
InChIKeyGICUPKLWTPUUMS-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.37
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-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489093
N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide
CID 60792895
2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
CID 61490026
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
2-(2-chloro-6-methoxyphenyl)-N-cyclohexylacetamide
CID 69037841
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2432962
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
N-cyclohexyl-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402250
N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide?
The IUPAC name of 2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide (CID 62573467) is 2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide?
The canonical SMILES for 2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide is O=Cc1c(Cl)cccc1OCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide?
The InChIKey is GICUPKLWTPUUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-14-8-5-9-15(13(14)10-19)21-11-16(20)18-12-6-3-1-2-4-7-12/h5,8-10,12H,1-4,6-7,11H2,(H,18,20).
What are the key properties of 2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide?
2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide has a molecular weight of 309.79 g/mol, XLogP of 3.37, 5 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-cycloheptylacetamide is sourced from PubChem (CID 62573467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).