2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide

C12H14ClFN2O — CID 138042070

IUPAC2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CCl)Nc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C12H14ClFN2O/c13-8-12(17)15-10-5-9(14)6-11(7-10)16-3-1-2-4-16/h5-7H,1-4,8H2,(H,15,17)
InChIKeyGTMCRCYTJCOFGV-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.60
Rot. Bonds3

About 2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide

2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 138042070) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide
PubChem CID138042070
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CCl)Nc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C12H14ClFN2O/c13-8-12(17)15-10-5-9(14)6-11(7-10)16-3-1-2-4-16/h5-7H,1-4,8H2,(H,15,17)
InChIKeyGTMCRCYTJCOFGV-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide
CID 47092976
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94812188
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 100639698
1-(3,5-difluorophenyl)pyrrolidine
CID 18454792
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864282
3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline
CID 115885020
3-fluoro-5-pyrrolidin-1-ylbenzoyl chloride
CID 87841147
N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 100640945
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea
CID 86799685
1-(3,5-difluorophenyl)piperidine
CID 55251038
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119871807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide (CID 138042070) is 2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide is O=C(CCl)Nc1cc(F)cc(N2CCCC2)c1.
What is the InChIKey of 2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is GTMCRCYTJCOFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-8-12(17)15-10-5-9(14)6-11(7-10)16-3-1-2-4-16/h5-7H,1-4,8H2,(H,15,17).
What are the key properties of 2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide?
2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 256.71 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 138042070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).