(Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide

C16H15ClN2O2 — CID 132592004

IUPAC(Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide
SMILESCc1ccc(O/C(=C\c2ccc(Cl)cc2)C(=O)NN)cc1
InChIInChI=1S/C16H15ClN2O2/c1-11-2-8-14(9-3-11)21-15(16(20)19-18)10-12-4-6-13(17)7-5-12/h2-10H,18H2,1H3,(H,19,20)/b15-10-
InChIKeyDVGFEQRNGBNOSO-GDNBJRDFSA-N
MW302.76 g/mol
LogP3.06
Rot. Bonds4

About (Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide

(Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide (PubChem CID 132592004) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide
PubChem CID132592004
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide
SMILESCc1ccc(O/C(=C\c2ccc(Cl)cc2)C(=O)NN)cc1
InChIInChI=1S/C16H15ClN2O2/c1-11-2-8-14(9-3-11)21-15(16(20)19-18)10-12-4-6-13(17)7-5-12/h2-10H,18H2,1H3,(H,19,20)/b15-10-
InChIKeyDVGFEQRNGBNOSO-GDNBJRDFSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide
CID 132591998
(Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
CID 132592007
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
2-(4-methylphenoxy)-3-(4-prop-2-enoxyphenyl)prop-2-enoic acid
CID 139651340
(E)-1-(4-chlorophenyl)-2-(4-nitrophenoxy)-3-(4-nitrophenyl)prop-2-en-1-one
CID 10717249
4-(4-chlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenoxy]but-3-en-2-one
CID 54410104
N-[(E)-1-(4-chlorophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2188593
(Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one
CID 102132918
5-O-(4-chlorophenyl) 1-O-ethyl pentanedioate
CID 91718068
phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 174899385
ethyl 2-[(4-chlorophenyl)methylidene]butanoate
CID 67451347
2-(4-chlorophenyl)-2-oxoacetohydrazide
CID 163907159

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide?
The IUPAC name of (Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide (CID 132592004) is (Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide is Cc1ccc(O/C(=C\c2ccc(Cl)cc2)C(=O)NN)cc1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide?
The InChIKey is DVGFEQRNGBNOSO-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-2-8-14(9-3-11)21-15(16(20)19-18)10-12-4-6-13(17)7-5-12/h2-10H,18H2,1H3,(H,19,20)/b15-10-.
What are the key properties of (Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide?
(Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide has a molecular weight of 302.76 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide is sourced from PubChem (CID 132592004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).