N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide

C14H18ClNO2 — CID 102872589

IUPACN-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N(CCCl)C1CCC1
InChIInChI=1S/C14H18ClNO2/c15-9-10-16(12-5-4-6-12)14(17)11-18-13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2
InChIKeyCTYWJNVVPSHPRP-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.69
Rot. Bonds6

About N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide

N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide (PubChem CID 102872589) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide
PubChem CID102872589
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N(CCCl)C1CCC1
InChIInChI=1S/C14H18ClNO2/c15-9-10-16(12-5-4-6-12)14(17)11-18-13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2
InChIKeyCTYWJNVVPSHPRP-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 102684381
N-(3-aminopropyl)-N-cyclohexyl-2-phenoxyacetamide
CID 43319389
2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide
CID 102872110
N-(3-aminopropyl)-N-cyclopropyl-2-phenoxyacetamide
CID 43136742
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide
CID 79206780
2-(4-bromophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866038
N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
CID 102872699
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
N-[(1-benzylpyrrol-2-yl)methyl]-2-[cyclohexyl-(2-phenoxyacetyl)amino]-N-cyclopropylacetamide
CID 42776810
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
methyl 3-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]propanoate
CID 43839701

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide (CID 102872589) is N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide is O=C(COc1ccccc1)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide?
The InChIKey is CTYWJNVVPSHPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-9-10-16(12-5-4-6-12)14(17)11-18-13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide?
N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide has a molecular weight of 267.76 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide is sourced from PubChem (CID 102872589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).