(E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide

C19H18Br2N2O3 — CID 6121077

IUPAC(E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1
InChIInChI=1S/C19H18Br2N2O3/c1-12-3-5-14(6-4-12)7-8-17(24)22-23-18(25)11-26-19-13(2)9-15(20)10-16(19)21/h3-10H,11H2,1-2H3,(H,22,24)(H,23,25)/b8-7+
InChIKeyNPTCYCFVVOMGBL-BQYQJAHWSA-N
MW482.17 g/mol
LogP4.07
Rot. Bonds5

About (E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide

(E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide (PubChem CID 6121077) has the molecular formula C19H18Br2N2O3 and a molecular weight of 482.17 g/mol. Its IUPAC name is (E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
PubChem CID6121077
Molecular FormulaC19H18Br2N2O3
Molecular Weight482.17 g/mol
Exact Mass479.97
IUPAC Name(E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1
InChIInChI=1S/C19H18Br2N2O3/c1-12-3-5-14(6-4-12)7-8-17(24)22-23-18(25)11-26-19-13(2)9-15(20)10-16(19)21/h3-10H,11H2,1-2H3,(H,22,24)(H,23,25)/b8-7+
InChIKeyNPTCYCFVVOMGBL-BQYQJAHWSA-N
XLogP4.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.17
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-ethoxyphenyl)prop-2-enehydrazide
CID 17227271
(E)-3-(2-chlorophenyl)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]prop-2-enehydrazide
CID 6133360
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 4505545
(E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6121079
(E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6170411
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 4922426
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 3253187
(E)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6120896
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide
CID 54792259
3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 78573422
1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927218
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 3287161

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide (CID 6121077) is (E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide is Cc1ccc(/C=C/C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1.
What is the InChIKey of (E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
The InChIKey is NPTCYCFVVOMGBL-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H18Br2N2O3/c1-12-3-5-14(6-4-12)7-8-17(24)22-23-18(25)11-26-19-13(2)9-15(20)10-16(19)21/h3-10H,11H2,1-2H3,(H,22,24)(H,23,25)/b8-7+.
What are the key properties of (E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
(E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide has a molecular weight of 482.17 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide is sourced from PubChem (CID 6121077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).