2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide

C11H11ClFNO — CID 62225506

IUPAC2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide
SMILESO=C(NC1CC1)C(Cl)c1cccc(F)c1
InChIInChI=1S/C11H11ClFNO/c12-10(11(15)14-9-4-5-9)7-2-1-3-8(13)6-7/h1-3,6,9-10H,4-5H2,(H,14,15)
InChIKeyMRKQPSWBZCLVFM-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.38
Rot. Bonds3

About 2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide

2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide (PubChem CID 62225506) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide
PubChem CID62225506
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide
SMILESO=C(NC1CC1)C(Cl)c1cccc(F)c1
InChIInChI=1S/C11H11ClFNO/c12-10(11(15)14-9-4-5-9)7-2-1-3-8(13)6-7/h1-3,6,9-10H,4-5H2,(H,14,15)
InChIKeyMRKQPSWBZCLVFM-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide
CID 115525365
N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
CID 62318890
2-chloro-2-(3-fluorophenyl)acetamide
CID 62225850
2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide
CID 62224965
2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide
CID 114454640
N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
2-chloro-N-cyclopropyl-2-pyridin-3-ylacetamide
CID 62225149
2-chloro-1,2-bis(3-fluorophenyl)ethanone
CID 21408832
2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108566898
2-chloro-N-cyclopentyl-2-(4-fluoro-3-methylphenyl)acetamide
CID 62224609

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide (CID 62225506) is 2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide is O=C(NC1CC1)C(Cl)c1cccc(F)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide?
The InChIKey is MRKQPSWBZCLVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-10(11(15)14-9-4-5-9)7-2-1-3-8(13)6-7/h1-3,6,9-10H,4-5H2,(H,14,15).
What are the key properties of 2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide?
2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide has a molecular weight of 227.67 g/mol, XLogP of 2.38, 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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 62225506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).