2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide

C14H17ClFNO2 — CID 99873881

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
SMILESC[C@@](O)(CNC(=O)Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C14H17ClFNO2/c1-14(19,9-5-6-9)8-17-13(18)7-10-11(15)3-2-4-12(10)16/h2-4,9,19H,5-8H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyAFCVQTGSPAIRMD-CQSZACIVSA-N
MW285.75 g/mol
LogP2.30
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide (PubChem CID 99873881) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
PubChem CID99873881
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
SMILESC[C@@](O)(CNC(=O)Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C14H17ClFNO2/c1-14(19,9-5-6-9)8-17-13(18)7-10-11(15)3-2-4-12(10)16/h2-4,9,19H,5-8H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyAFCVQTGSPAIRMD-CQSZACIVSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide;carbonic acid
CID 22076120
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate
CID 23374248
N-[(3-chlorocyclopentyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 106126488
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 99999809
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide
CID 114307086
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114317207
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 113343226
2-(2-chloro-6-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157049

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide (CID 99873881) is 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide is C[C@@](O)(CNC(=O)Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide?
The InChIKey is AFCVQTGSPAIRMD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-14(19,9-5-6-9)8-17-13(18)7-10-11(15)3-2-4-12(10)16/h2-4,9,19H,5-8H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide has a molecular weight of 285.75 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide is sourced from PubChem (CID 99873881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).