N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide

C17H16BrClN2O3 — CID 55771819

IUPACN'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)c2ccccc2Cl)c(Br)c1
InChIInChI=1S/C17H16BrClN2O3/c1-10-7-8-15(13(18)9-10)24-11(2)16(22)20-21-17(23)12-5-3-4-6-14(12)19/h3-9,11H,1-2H3,(H,20,22)(H,21,23)
InChIKeyHHDURYDBKGRCHS-UHFFFAOYSA-N
MW411.68 g/mol
LogP3.64
Rot. Bonds4

About N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide

N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide (PubChem CID 55771819) has the molecular formula C17H16BrClN2O3 and a molecular weight of 411.68 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide
PubChem CID55771819
Molecular FormulaC17H16BrClN2O3
Molecular Weight411.68 g/mol
Exact Mass410.00
IUPAC NameN'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)c2ccccc2Cl)c(Br)c1
InChIInChI=1S/C17H16BrClN2O3/c1-10-7-8-15(13(18)9-10)24-11(2)16(22)20-21-17(23)12-5-3-4-6-14(12)19/h3-9,11H,1-2H3,(H,20,22)(H,21,23)
InChIKeyHHDURYDBKGRCHS-UHFFFAOYSA-N
XLogP3.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(2-bromo-4-methylphenoxy)propanoyl]pyridine-2-carbohydrazide
CID 51958934
(2R)-N-(2-acetylphenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 8958059
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide
CID 4981545
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid
CID 3349728
N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide
CID 46491239
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119522000
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
N'-[2-(2-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide
CID 4932333
2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 56581617

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide (CID 55771819) is N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide is Cc1ccc(OC(C)C(=O)NNC(=O)c2ccccc2Cl)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide?
The InChIKey is HHDURYDBKGRCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O3/c1-10-7-8-15(13(18)9-10)24-11(2)16(22)20-21-17(23)12-5-3-4-6-14(12)19/h3-9,11H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide?
N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide has a molecular weight of 411.68 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide is sourced from PubChem (CID 55771819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).