(2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide

C16H14Cl2N2O3 — CID 98517028

IUPAC(2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide
SMILESO=C(NNC(=O)[C@H](Oc1ccccc1)c1ccccc1)C(Cl)Cl
InChIInChI=1S/C16H14Cl2N2O3/c17-14(18)16(22)20-19-15(21)13(11-7-3-1-4-8-11)23-12-9-5-2-6-10-12/h1-10,13-14H,(H,19,21)(H,20,22)/t13-/m1/s1
InChIKeyNMKLUIWWTBULQP-CYBMUJFWSA-N
MW353.21 g/mol
LogP2.76
Rot. Bonds5

About (2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide

(2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide (PubChem CID 98517028) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is (2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide.

Molecular Properties

Compound Name(2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide
PubChem CID98517028
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name(2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide
SMILESO=C(NNC(=O)[C@H](Oc1ccccc1)c1ccccc1)C(Cl)Cl
InChIInChI=1S/C16H14Cl2N2O3/c17-14(18)16(22)20-19-15(21)13(11-7-3-1-4-8-11)23-12-9-5-2-6-10-12/h1-10,13-14H,(H,19,21)(H,20,22)/t13-/m1/s1
InChIKeyNMKLUIWWTBULQP-CYBMUJFWSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-3-yl-2-phenoxy-2-phenylacetamide
CID 55752773
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
N-(5-methyl-2-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 60543327
2-phenoxy-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461962
N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119500862
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenoxy-2-phenylacetamide;hydrochloride
CID 119457115
2-fluoro-N-[2-[(2-phenoxy-2-phenylacetyl)amino]ethyl]benzamide
CID 55982811
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
(2R)-2-(4-chlorophenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7816326
N-(6-methoxy-3-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 46489256
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-phenoxy-2-phenylacetamide
CID 55761482
2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide
CID 63576169

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide?
The IUPAC name of (2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide (CID 98517028) is (2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide.
What is the SMILES notation for (2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide?
The canonical SMILES for (2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide is O=C(NNC(=O)[C@H](Oc1ccccc1)c1ccccc1)C(Cl)Cl.
What is the InChIKey of (2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide?
The InChIKey is NMKLUIWWTBULQP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-14(18)16(22)20-19-15(21)13(11-7-3-1-4-8-11)23-12-9-5-2-6-10-12/h1-10,13-14H,(H,19,21)(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide?
(2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide has a molecular weight of 353.21 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-(2,2-dichloroacetyl)-2-phenoxy-2-phenylacetohydrazide is sourced from PubChem (CID 98517028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).