2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide

C13H16ClNO2 — CID 166431671

IUPAC2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide
SMILESO=C(CCl)NC1CC(COc2ccccc2)C1
InChIInChI=1S/C13H16ClNO2/c14-8-13(16)15-11-6-10(7-11)9-17-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,15,16)
InChIKeySXXDSZQUUZQNQE-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.20
Rot. Bonds5

About 2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide

2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide (PubChem CID 166431671) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide
PubChem CID166431671
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide
SMILESO=C(CCl)NC1CC(COc2ccccc2)C1
InChIInChI=1S/C13H16ClNO2/c14-8-13(16)15-11-6-10(7-11)9-17-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,15,16)
InChIKeySXXDSZQUUZQNQE-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.20
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

N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
2-chloro-N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]acetamide
CID 176700322
(1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane
CID 70660865
cyclopropylmethoxybenzene
CID 12712156
N-[(3-chlorocyclobutyl)methyl]-3-phenoxypropan-1-amine
CID 66005855
(1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 146067377
prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate
CID 89305173
[(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid
CID 69285741
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate
CID 1131242
2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide (CID 166431671) is 2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide is O=C(CCl)NC1CC(COc2ccccc2)C1.
What is the InChIKey of 2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide?
The InChIKey is SXXDSZQUUZQNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-8-13(16)15-11-6-10(7-11)9-17-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,15,16).
What are the key properties of 2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide?
2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide has a molecular weight of 253.73 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide is sourced from PubChem (CID 166431671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).