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

C19H19BrN2O3 — CID 6121079

IUPAC(E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C19H19BrN2O3/c1-13-3-5-15(6-4-13)7-10-18(23)21-22-19(24)12-25-16-8-9-17(20)14(2)11-16/h3-11H,12H2,1-2H3,(H,21,23)(H,22,24)/b10-7+
InChIKeyBMNAIHDIWXQWAJ-JXMROGBWSA-N
MW403.28 g/mol
LogP3.31
Rot. Bonds5

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

(E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide (PubChem CID 6121079) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is (E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
PubChem CID6121079
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name(E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C19H19BrN2O3/c1-13-3-5-15(6-4-13)7-10-18(23)21-22-19(24)12-25-16-8-9-17(20)14(2)11-16/h3-11H,12H2,1-2H3,(H,21,23)(H,22,24)/b10-7+
InChIKeyBMNAIHDIWXQWAJ-JXMROGBWSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.31
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-methylphenyl)prop-2-enehydrazide
CID 6121077
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 4922426
(E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6170411
(E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-ethoxyphenyl)prop-2-enehydrazide
CID 17227271
(E)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6120896
tert-butyl N-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamate
CID 17385948
(E)-N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 6123647
2-(4-bromo-3-methylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190500
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-ethylphenoxy)acetohydrazide
CID 3376998
N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 3267377
N-[4-[(E)-3-[2-[2-(3,5-dimethylphenoxy)acetyl]hydrazinyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 35801423
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502708

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide (CID 6121079) is (E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide is Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of (E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
The InChIKey is BMNAIHDIWXQWAJ-JXMROGBWSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-13-3-5-15(6-4-13)7-10-18(23)21-22-19(24)12-25-16-8-9-17(20)14(2)11-16/h3-11H,12H2,1-2H3,(H,21,23)(H,22,24)/b10-7+.
What are the key properties of (E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
(E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide has a molecular weight of 403.28 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide is sourced from PubChem (CID 6121079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).