N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride

C13H13Cl3N2O — CID 154088976

IUPACN-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride
SMILESC#CCOc1cc(NN=C(Cl)C(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl3N2O/c1-4-5-19-12-7-11(9(14)6-10(12)15)17-18-13(16)8(2)3/h1,6-8,17H,5H2,2-3H3
InChIKeyZJOKSBQWISNLEM-UHFFFAOYSA-N
MW319.62 g/mol
LogP4.63
Rot. Bonds5

About N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride

N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride (PubChem CID 154088976) has the molecular formula C13H13Cl3N2O and a molecular weight of 319.62 g/mol. Its IUPAC name is N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride.

Molecular Properties

Compound NameN-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride
PubChem CID154088976
Molecular FormulaC13H13Cl3N2O
Molecular Weight319.62 g/mol
Exact Mass318.01
IUPAC NameN-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride
SMILESC#CCOc1cc(NN=C(Cl)C(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl3N2O/c1-4-5-19-12-7-11(9(14)6-10(12)15)17-18-13(16)8(2)3/h1,6-8,17H,5H2,2-3H3
InChIKeyZJOKSBQWISNLEM-UHFFFAOYSA-N
XLogP4.63
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.62
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide
CID 10999770
2,4-dichloro-5-prop-2-ynoxyaniline;hydrochloride
CID 141437636
(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)urea
CID 118464862
1-chloro-4-fluoro-2-prop-2-ynoxybenzene
CID 22482803
(7aR)-2-(2,4-dichloro-5-prop-2-ynoxyanilino)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 110188977
O-(2,4-dichloro-5-prop-2-ynoxyphenyl) 2,5-dihydropyrrole-1-carbothioate
CID 54466629
1-(4-chloro-3-prop-2-ynoxyphenyl)-3-methylurea
CID 118123567
3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione
CID 14551389
1-amino-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-(2-hydroxyethyl)thiourea
CID 118123524
1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol
CID 63650737
3-iodoprop-2-ynyl 2-(4-chloro-2-fluoro-5-prop-2-ynoxyanilino)-2-oxoacetate
CID 54261097
N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide
CID 6471423

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride?
The IUPAC name of N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride (CID 154088976) is N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride.
What is the SMILES notation for N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride?
The canonical SMILES for N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride is C#CCOc1cc(NN=C(Cl)C(C)C)c(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride?
The InChIKey is ZJOKSBQWISNLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N2O/c1-4-5-19-12-7-11(9(14)6-10(12)15)17-18-13(16)8(2)3/h1,6-8,17H,5H2,2-3H3.
What are the key properties of N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride?
N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride has a molecular weight of 319.62 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-5-prop-2-ynoxyphenyl)-2-methylpropanehydrazonoyl chloride is sourced from PubChem (CID 154088976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).