N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide

C13H16ClNO2 — CID 115455953

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCC1(CCl)CC1
InChIInChI=1S/C13H16ClNO2/c14-8-13(4-5-13)9-15-12(17)7-10-2-1-3-11(16)6-10/h1-3,6,16H,4-5,7-9H2,(H,15,17)
InChIKeyFSRIAGLZGBJMCW-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.07
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 115455953) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID115455953
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCC1(CCl)CC1
InChIInChI=1S/C13H16ClNO2/c14-8-13(4-5-13)9-15-12(17)7-10-2-1-3-11(16)6-10/h1-3,6,16H,4-5,7-9H2,(H,15,17)
InChIKeyFSRIAGLZGBJMCW-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyphenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 103801681
N-[(1-cyclopropylcyclopropyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 103841045
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115455902
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
CID 115455987
N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 91789520
2-(3-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957138
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
CID 103969492
N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide
CID 107846976
N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide
CID 167990501
2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide (CID 115455953) is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is FSRIAGLZGBJMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-8-13(4-5-13)9-15-12(17)7-10-2-1-3-11(16)6-10/h1-3,6,16H,4-5,7-9H2,(H,15,17).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 253.73 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 115455953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).