N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide

C14H17ClFNO — CID 102872699

IUPACN-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)N(CCCl)C1CCC1
InChIInChI=1S/C14H17ClFNO/c15-8-9-17(12-5-3-6-12)14(18)10-11-4-1-2-7-13(11)16/h1-2,4,7,12H,3,5-6,8-10H2
InChIKeyDBAUGBDSKPEKDS-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.99
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide

N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide (PubChem CID 102872699) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
PubChem CID102872699
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)N(CCCl)C1CCC1
InChIInChI=1S/C14H17ClFNO/c15-8-9-17(12-5-3-6-12)14(18)10-11-4-1-2-7-13(11)16/h1-2,4,7,12H,3,5-6,8-10H2
InChIKeyDBAUGBDSKPEKDS-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 80659219
N-(3-aminopropyl)-N-cyclopropyl-2-(2-fluorophenyl)acetamide
CID 43136756
2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide
CID 102872497
N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55185523
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
N-(2-aminoethyl)-N-cyclopentyl-2-(2-hydroxyphenyl)acetamide
CID 80743733
N-(2-aminoethyl)-N-cyclohexyl-2-(2-hydroxyphenyl)acetamide
CID 80740387
N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide
CID 107017040
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
N-(2-aminoethyl)-N-cyclobutyl-2-(2,4-difluorophenyl)acetamide
CID 102874077

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide (CID 102872699) is N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide?
The InChIKey is DBAUGBDSKPEKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-8-9-17(12-5-3-6-12)14(18)10-11-4-1-2-7-13(11)16/h1-2,4,7,12H,3,5-6,8-10H2.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide?
N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide has a molecular weight of 269.75 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 102872699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).