2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide

C16H22ClNO2 — CID 62496113

IUPAC2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(C(Cl)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H22ClNO2/c1-2-11-20-14-9-7-12(8-10-14)15(17)16(19)18-13-5-3-4-6-13/h7-10,13,15H,2-6,11H2,1H3,(H,18,19)
InChIKeyVDISNJZKGLMIID-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.81
Rot. Bonds6

About 2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide

2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide (PubChem CID 62496113) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide
PubChem CID62496113
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(C(Cl)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H22ClNO2/c1-2-11-20-14-9-7-12(8-10-14)15(17)16(19)18-13-5-3-4-6-13/h7-10,13,15H,2-6,11H2,1H3,(H,18,19)
InChIKeyVDISNJZKGLMIID-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide
CID 62496114
2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
CID 62226849
2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302
N-cyclohexyl-4-propoxybenzamide
CID 4938429
2-(cyclopentylamino)-2-(4-propoxyphenyl)acetamide
CID 62495956
2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide
CID 62224974
2-chloro-2-(4-propoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 62496445
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542148
N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115672820

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide (CID 62496113) is 2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide is CCCOc1ccc(C(Cl)C(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide?
The InChIKey is VDISNJZKGLMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-11-20-14-9-7-12(8-10-14)15(17)16(19)18-13-5-3-4-6-13/h7-10,13,15H,2-6,11H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide?
2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 62496113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).