N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide

C17H15ClFNO — CID 166359291

IUPACN-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C17H15ClFNO/c18-15-7-2-1-6-13(15)14-10-16(14)20-17(21)9-11-4-3-5-12(19)8-11/h1-8,14,16H,9-10H2,(H,20,21)/t14-,16+/m0/s1
InChIKeyJGBWDOLDJCQBJE-GOEBONIOSA-N
MW303.76 g/mol
LogP3.69
Rot. Bonds4

About N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide

N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide (PubChem CID 166359291) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
PubChem CID166359291
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC NameN-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C17H15ClFNO/c18-15-7-2-1-6-13(15)14-10-16(14)20-17(21)9-11-4-3-5-12(19)8-11/h1-8,14,16H,9-10H2,(H,20,21)/t14-,16+/m0/s1
InChIKeyJGBWDOLDJCQBJE-GOEBONIOSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(4-fluorophenyl)acetamide
CID 166359293
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359275
N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90019460
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90020152
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide
CID 97014434
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide
CID 114302053
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
N-(2,6-dichlorophenyl)-2-(3-fluorophenyl)acetamide
CID 92647585
N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide
CID 106366080
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 95294622
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide (CID 166359291) is N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)N[C@@H]1C[C@H]1c1ccccc1Cl.
What is the InChIKey of N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is JGBWDOLDJCQBJE-GOEBONIOSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-15-7-2-1-6-13(15)14-10-16(14)20-17(21)9-11-4-3-5-12(19)8-11/h1-8,14,16H,9-10H2,(H,20,21)/t14-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide?
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 303.76 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 166359291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).