2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide

C11H11ClFNO — CID 166403981

IUPAC2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
SMILESO=C(CCl)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C11H11ClFNO/c12-7-10(15)14-11(4-5-11)8-2-1-3-9(13)6-8/h1-3,6H,4-5,7H2,(H,14,15)
InChIKeyQLULRKXGSDRCPH-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.17
Rot. Bonds3

About 2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide

2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide (PubChem CID 166403981) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
PubChem CID166403981
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
SMILESO=C(CCl)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C11H11ClFNO/c12-7-10(15)14-11(4-5-11)8-2-1-3-9(13)6-8/h1-3,6H,4-5,7H2,(H,14,15)
InChIKeyQLULRKXGSDRCPH-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110479683
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023173
2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide
CID 166418624
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670
ethyl 2-[[1-(3-fluorophenyl)cyclopropyl]amino]-2-oxoacetate
CID 110481889
N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide
CID 119799474
N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939693
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide (CID 166403981) is 2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide is O=C(CCl)NC1(c2cccc(F)c2)CC1.
What is the InChIKey of 2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide?
The InChIKey is QLULRKXGSDRCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-7-10(15)14-11(4-5-11)8-2-1-3-9(13)6-8/h1-3,6H,4-5,7H2,(H,14,15).
What are the key properties of 2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide?
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide has a molecular weight of 227.67 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide is sourced from PubChem (CID 166403981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).