N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide

C19H21BrN2O5 — CID 1210378

IUPACN'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)COc2ccc(Br)cc2C)cc1OC
InChIInChI=1S/C19H21BrN2O5/c1-12-8-14(20)5-7-15(12)27-11-19(24)22-21-18(23)10-13-4-6-16(25-2)17(9-13)26-3/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDNMXUNWAQJRKJA-UHFFFAOYSA-N
MW437.29 g/mol
LogP2.54
Rot. Bonds7

About N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide

N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide (PubChem CID 1210378) has the molecular formula C19H21BrN2O5 and a molecular weight of 437.29 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide
PubChem CID1210378
Molecular FormulaC19H21BrN2O5
Molecular Weight437.29 g/mol
Exact Mass436.06
IUPAC NameN'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)COc2ccc(Br)cc2C)cc1OC
InChIInChI=1S/C19H21BrN2O5/c1-12-8-14(20)5-7-15(12)27-11-19(24)22-21-18(23)10-13-4-6-16(25-2)17(9-13)26-3/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDNMXUNWAQJRKJA-UHFFFAOYSA-N
XLogP2.54
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromophenoxy)acetylamino]-3-phenylpropanamide
CID 3139325
N-[2-(2-bromo-4-methylphenoxy)acetylamino]-3-phenylpropanamide
CID 3139327
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139334
2-(4-bromo-2-methylphenoxy)-N'-(phenylacetyl)acetohydrazide
CID 1047994
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139326
Acetic acid, (2-(benzyloxy)-3-methoxyphenyl)-, hydrazide
CID 3062848
2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
CID 2126545
3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide
CID 4788525
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
CID 3612763
2-(3,4-dimethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 7809026
3-(3,4-dimethoxyphenyl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide
CID 8130384
2-(3,4-dimethoxyphenyl)-N'-[2-(4-fluorophenoxy)acetyl]acetohydrazide
CID 8130573

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide (CID 1210378) is N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide is COc1ccc(CC(=O)NNC(=O)COc2ccc(Br)cc2C)cc1OC.
What is the InChIKey of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide?
The InChIKey is DNMXUNWAQJRKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O5/c1-12-8-14(20)5-7-15(12)27-11-19(24)22-21-18(23)10-13-4-6-16(25-2)17(9-13)26-3/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide?
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide has a molecular weight of 437.29 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-(3,4-dimethoxyphenyl)acetohydrazide is sourced from PubChem (CID 1210378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).