3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide

C14H12Cl2N2O3 — CID 70631337

IUPAC3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide
SMILESNC(=O)C(Oc1ccccc1)(Oc1ccccn1)C(Cl)Cl
InChIInChI=1S/C14H12Cl2N2O3/c15-12(16)14(13(17)19,20-10-6-2-1-3-7-10)21-11-8-4-5-9-18-11/h1-9,12H,(H2,17,19)
InChIKeyMFKJYQMYJOWRQY-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.52
Rot. Bonds6

About 3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide

3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide (PubChem CID 70631337) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide.

Molecular Properties

Compound Name3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide
PubChem CID70631337
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide
SMILESNC(=O)C(Oc1ccccc1)(Oc1ccccn1)C(Cl)Cl
InChIInChI=1S/C14H12Cl2N2O3/c15-12(16)14(13(17)19,20-10-6-2-1-3-7-10)21-11-8-4-5-9-18-11/h1-9,12H,(H2,17,19)
InChIKeyMFKJYQMYJOWRQY-UHFFFAOYSA-N
XLogP2.52
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-2-phenoxyacetamide
CID 66930473
3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate
CID 70574581
4,4,4-trifluoro-2-methyl-2-pyridin-2-yloxybutanamide
CID 140553367
4-(pyridin-2-yloxymethyl)benzoic acid
CID 21105508
2-[bromo(difluoro)methoxy]pyridine
CID 66668027
dipyridin-2-yl carbonate
CID 2757370
[4-(1,2,3,3,3-pentafluoro-1-phenoxypropoxy)phenyl]-(4-pyridin-2-yloxyphenyl)methanone
CID 19821226
ethane;2-phenoxypyridine
CID 90835857
2-methyl-1-pyridin-2-yloxypropan-2-ol
CID 89434781
2-butoxypyridine;carbonic acid
CID 159061563
tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate
CID 174656656
2-pyridin-2-yloxypropane-2-thiol
CID 123837409

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide?
The IUPAC name of 3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide (CID 70631337) is 3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide.
What is the SMILES notation for 3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide?
The canonical SMILES for 3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide is NC(=O)C(Oc1ccccc1)(Oc1ccccn1)C(Cl)Cl.
What is the InChIKey of 3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide?
The InChIKey is MFKJYQMYJOWRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c15-12(16)14(13(17)19,20-10-6-2-1-3-7-10)21-11-8-4-5-9-18-11/h1-9,12H,(H2,17,19).
What are the key properties of 3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide?
3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide has a molecular weight of 327.17 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide is sourced from PubChem (CID 70631337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).