(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide

C16H15BrN2O2 — CID 132591998

IUPAC(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide
SMILESCc1ccc(/C=C(\Oc2ccc(Br)cc2)C(=O)NN)cc1
InChIInChI=1S/C16H15BrN2O2/c1-11-2-4-12(5-3-11)10-15(16(20)19-18)21-14-8-6-13(17)7-9-14/h2-10H,18H2,1H3,(H,19,20)/b15-10-
InChIKeyBGPPVMHJYFVLOP-GDNBJRDFSA-N
MW347.21 g/mol
LogP3.17
Rot. Bonds4

About (Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide

(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide (PubChem CID 132591998) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is (Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide
PubChem CID132591998
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide
SMILESCc1ccc(/C=C(\Oc2ccc(Br)cc2)C(=O)NN)cc1
InChIInChI=1S/C16H15BrN2O2/c1-11-2-4-12(5-3-11)10-15(16(20)19-18)21-14-8-6-13(17)7-9-14/h2-10H,18H2,1H3,(H,19,20)/b15-10-
InChIKeyBGPPVMHJYFVLOP-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-chlorophenyl)-2-(4-methylphenoxy)prop-2-enehydrazide
CID 132592004
(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide
CID 132592828
(Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
CID 132592007
(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
CID 132591997
N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1365829
(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide
CID 132592839
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-bromobenzoate
CID 102305242
(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide
CID 56968849
2-(4-methylphenoxy)-3-(4-prop-2-enoxyphenyl)prop-2-enoic acid
CID 139651340
[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl] 4-bromobenzoate
CID 6267484
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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide?
The IUPAC name of (Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide (CID 132591998) is (Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide.
What is the SMILES notation for (Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide?
The canonical SMILES for (Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide is Cc1ccc(/C=C(\Oc2ccc(Br)cc2)C(=O)NN)cc1.
What is the InChIKey of (Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide?
The InChIKey is BGPPVMHJYFVLOP-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-11-2-4-12(5-3-11)10-15(16(20)19-18)21-14-8-6-13(17)7-9-14/h2-10H,18H2,1H3,(H,19,20)/b15-10-.
What are the key properties of (Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide?
(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)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)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide is sourced from PubChem (CID 132591998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).