N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide

C14H16Cl2N2O2 — CID 22439608

IUPACN'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide
SMILESC#CCOc1cc(N(NCl)C(=O)C(C)(C)C)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-5-8-20-12-9-10(6-7-11(12)15)18(17-16)13(19)14(2,3)4/h1,6-7,9,17H,8H2,2-4H3
InChIKeyPHRLNZSANVSTLE-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.39
Rot. Bonds4

About N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide

N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide (PubChem CID 22439608) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide
PubChem CID22439608
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide
SMILESC#CCOc1cc(N(NCl)C(=O)C(C)(C)C)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-5-8-20-12-9-10(6-7-11(12)15)18(17-16)13(19)14(2,3)4/h1,6-7,9,17H,8H2,2-4H3
InChIKeyPHRLNZSANVSTLE-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide?
The IUPAC name of N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide (CID 22439608) is N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide is C#CCOc1cc(N(NCl)C(=O)C(C)(C)C)ccc1Cl.
What is the InChIKey of N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide?
The InChIKey is PHRLNZSANVSTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-5-8-20-12-9-10(6-7-11(12)15)18(17-16)13(19)14(2,3)4/h1,6-7,9,17H,8H2,2-4H3.
What are the key properties of N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide?
N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide has a molecular weight of 315.20 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-chloro-N-(4-chloro-3-prop-2-ynoxyphenyl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 22439608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).