2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide

C12H13ClFNO — CID 62224965

IUPAC2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1C(Cl)C(=O)NC1CC1
InChIInChI=1S/C12H13ClFNO/c1-7-6-8(14)2-5-10(7)11(13)12(16)15-9-3-4-9/h2,5-6,9,11H,3-4H2,1H3,(H,15,16)
InChIKeyGCBDSBLAACBIDH-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.69
Rot. Bonds3

About 2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide

2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide (PubChem CID 62224965) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide
PubChem CID62224965
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1C(Cl)C(=O)NC1CC1
InChIInChI=1S/C12H13ClFNO/c1-7-6-8(14)2-5-10(7)11(13)12(16)15-9-3-4-9/h2,5-6,9,11H,3-4H2,1H3,(H,15,16)
InChIKeyGCBDSBLAACBIDH-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.69
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

2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62224597
2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide
CID 62225506
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
CID 130625932
2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
2-chloro-N-cyclopentyl-2-(4-fluoro-3-methylphenyl)acetamide
CID 62224609
N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
CID 78754103
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide
CID 105371388
N-cyclopropyl-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 82126665

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide (CID 62224965) is 2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide is Cc1cc(F)ccc1C(Cl)C(=O)NC1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide?
The InChIKey is GCBDSBLAACBIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-7-6-8(14)2-5-10(7)11(13)12(16)15-9-3-4-9/h2,5-6,9,11H,3-4H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide?
2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide has a molecular weight of 241.69 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 62224965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).