N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide

C18H19BrN2O4 — CID 9366282

IUPACN'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide
SMILESCOc1cc(Br)c(CC(=O)NNC(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H19BrN2O4/c1-11-4-6-12(7-5-11)18(23)21-20-17(22)9-13-8-15(24-2)16(25-3)10-14(13)19/h4-8,10H,9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyYZEJRNSGASFEGL-UHFFFAOYSA-N
MW407.26 g/mol
LogP2.78
Rot. Bonds5

About N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide

N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide (PubChem CID 9366282) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide
PubChem CID9366282
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide
SMILESCOc1cc(Br)c(CC(=O)NNC(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H19BrN2O4/c1-11-4-6-12(7-5-11)18(23)21-20-17(22)9-13-8-15(24-2)16(25-3)10-14(13)19/h4-8,10H,9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyYZEJRNSGASFEGL-UHFFFAOYSA-N
XLogP2.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934164
4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9038094
4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9327517
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide
CID 78805092
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 1406214
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263899
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 8637344
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
N'-(2-bromoacetyl)-4-methylbenzohydrazide
CID 54560868
2-(2-bromo-4,5-dimethoxyphenyl)-N-prop-2-enylacetamide
CID 9207575
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide (CID 9366282) is N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide is COc1cc(Br)c(CC(=O)NNC(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide?
The InChIKey is YZEJRNSGASFEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-11-4-6-12(7-5-11)18(23)21-20-17(22)9-13-8-15(24-2)16(25-3)10-14(13)19/h4-8,10H,9H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide?
N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide has a molecular weight of 407.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide is sourced from PubChem (CID 9366282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).