N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide

C15H20ClNO2 — CID 103166704

IUPACN-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2ccccc2CCl)C1
InChIInChI=1S/C15H20ClNO2/c1-2-19-13-7-11(8-13)9-15(18)17-14-6-4-3-5-12(14)10-16/h3-6,11,13H,2,7-10H2,1H3,(H,17,18)
InChIKeyMPSBAPWFDBFJPE-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.57
Rot. Bonds6

About N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide

N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103166704) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103166704
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2ccccc2CCl)C1
InChIInChI=1S/C15H20ClNO2/c1-2-19-13-7-11(8-13)9-15(18)17-14-6-4-3-5-12(14)10-16/h3-6,11,13H,2,7-10H2,1H3,(H,17,18)
InChIKeyMPSBAPWFDBFJPE-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 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 ≤ 53.57
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-(3-ethoxycyclobutyl)-N-(2-iodophenyl)acetamide
CID 103163808
N-[2-(chloromethyl)phenyl]-2-cyclopropylacetamide
CID 114298279
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 103161884
2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid
CID 103161737
N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166726
N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107805706
5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103161729
N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 138015104
N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107697268
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103279698
N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103270141
N-(3-amino-4-ethylphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161581

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide (CID 103166704) is N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)Nc2ccccc2CCl)C1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is MPSBAPWFDBFJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-19-13-7-11(8-13)9-15(18)17-14-6-4-3-5-12(14)10-16/h3-6,11,13H,2,7-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide?
N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 281.78 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103166704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).