2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide

C15H20ClNO2 — CID 102861176

IUPAC2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
SMILESO=C(C(Cl)c1ccccc1)N(CCCO)C1CCC1
InChIInChI=1S/C15H20ClNO2/c16-14(12-6-2-1-3-7-12)15(19)17(10-5-11-18)13-8-4-9-13/h1-3,6-7,13-14,18H,4-5,8-11H2
InChIKeyAJAAVWLXIKKZFN-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.73
Rot. Bonds6

About 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide

2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide (PubChem CID 102861176) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
PubChem CID102861176
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
SMILESO=C(C(Cl)c1ccccc1)N(CCCO)C1CCC1
InChIInChI=1S/C15H20ClNO2/c16-14(12-6-2-1-3-7-12)15(19)17(10-5-11-18)13-8-4-9-13/h1-3,6-7,13-14,18H,4-5,8-11H2
InChIKeyAJAAVWLXIKKZFN-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.73
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,N-diethyl-2-phenylacetamide
CID 4962500
2-Chloro-2-phenyl-1-(piperidin-1-yl)ethan-1-one
CID 4962536
2-chloro-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
CID 54875784
2-(2-chloro-6-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54916433
2-(2-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54916671
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54916672
2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54917289
2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60948150
2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 60949696
2-(2,3-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 80114459
2-(2,6-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 80381511
2-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 80381517

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide (CID 102861176) is 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide is O=C(C(Cl)c1ccccc1)N(CCCO)C1CCC1.
What is the InChIKey of 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide?
The InChIKey is AJAAVWLXIKKZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-14(12-6-2-1-3-7-12)15(19)17(10-5-11-18)13-8-4-9-13/h1-3,6-7,13-14,18H,4-5,8-11H2.
What are the key properties of 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide?
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide has a molecular weight of 281.78 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide is sourced from PubChem (CID 102861176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).