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

C16H15BrN2O2 — CID 132592828

IUPAC(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide
SMILESCc1cccc(O/C(=C\c2ccc(Br)cc2)C(=O)NN)c1
InChIInChI=1S/C16H15BrN2O2/c1-11-3-2-4-14(9-11)21-15(16(20)19-18)10-12-5-7-13(17)8-6-12/h2-10H,18H2,1H3,(H,19,20)/b15-10-
InChIKeyVSFODFDXXXCWMT-GDNBJRDFSA-N
MW347.21 g/mol
LogP3.17
Rot. Bonds4

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

(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide (PubChem CID 132592828) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide
PubChem CID132592828
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide
SMILESCc1cccc(O/C(=C\c2ccc(Br)cc2)C(=O)NN)c1
InChIInChI=1S/C16H15BrN2O2/c1-11-3-2-4-14(9-11)21-15(16(20)19-18)10-12-5-7-13(17)8-6-12/h2-10H,18H2,1H3,(H,19,20)/b15-10-
InChIKeyVSFODFDXXXCWMT-GDNBJRDFSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.17
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)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide
CID 132592839
(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide
CID 132591998
N-[(E)-1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 2266330
N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 1366810
(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
CID 132591997
(Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
CID 132592007
1-O-ethyl 4-O-(3-methylphenyl) butanedioate
CID 91702415
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
(3-methylphenyl) 3-aminopropanoate
CID 82111471
2-(3-methylphenoxy)propanehydrazide
CID 3021693
(3-methylphenyl) 3-bromo-4-methylbenzoate
CID 23011064
N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide
CID 1034415

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide?
The IUPAC name of (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide (CID 132592828) is (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide?
The canonical SMILES for (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide is Cc1cccc(O/C(=C\c2ccc(Br)cc2)C(=O)NN)c1.
What is the InChIKey of (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide?
The InChIKey is VSFODFDXXXCWMT-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-11-3-2-4-14(9-11)21-15(16(20)19-18)10-12-5-7-13(17)8-6-12/h2-10H,18H2,1H3,(H,19,20)/b15-10-.
What are the key properties of (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide?
(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide has a molecular weight of 347.21 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide is sourced from PubChem (CID 132592828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).