(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide

C15H12ClNO3 — CID 93239229

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
SMILESO=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)c1ccccc1
InChIInChI=1S/C15H12ClNO3/c16-14(10-4-2-1-3-5-10)15(18)17-11-6-7-12-13(8-11)20-9-19-12/h1-8,14H,9H2,(H,17,18)/t14-/m1/s1
InChIKeyCJKPHZOORSQRPB-CQSZACIVSA-N
MW289.72 g/mol
LogP3.33
Rot. Bonds3

About (2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide

(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide (PubChem CID 93239229) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
PubChem CID93239229
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
SMILESO=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)c1ccccc1
InChIInChI=1S/C15H12ClNO3/c16-14(10-4-2-1-3-5-10)15(18)17-11-6-7-12-13(8-11)20-9-19-12/h1-8,14H,9H2,(H,17,18)/t14-/m1/s1
InChIKeyCJKPHZOORSQRPB-CQSZACIVSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
(2R)-N-(1,3-benzodioxol-5-yl)-2-(dibenzylamino)-2-phenylacetamide
CID 94233315
(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
CID 8700986
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-methylphenyl)-2-phenylacetamide
CID 2565303
1-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylethanone
CID 21408356
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821639
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
N-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylpropanamide
CID 107021832
N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
CID 2559897
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3,3-diphenylpropanoate
CID 7795335
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2471699

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide (CID 93239229) is (2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide is O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)c1ccccc1.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide?
The InChIKey is CJKPHZOORSQRPB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-14(10-4-2-1-3-5-10)15(18)17-11-6-7-12-13(8-11)20-9-19-12/h1-8,14H,9H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide has a molecular weight of 289.72 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide is sourced from PubChem (CID 93239229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).