N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide

C19H18BrClN2O4 — CID 4981545

IUPACN'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C19H18BrClN2O4/c1-3-10-26-16-7-5-4-6-14(16)19(25)23-22-18(24)12(2)27-17-9-8-13(21)11-15(17)20/h3-9,11-12H,1,10H2,2H3,(H,22,24)(H,23,25)
InChIKeyTYDPPJZXSLXVJG-UHFFFAOYSA-N
MW453.72 g/mol
LogP3.90
Rot. Bonds7

About N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide

N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide (PubChem CID 4981545) has the molecular formula C19H18BrClN2O4 and a molecular weight of 453.72 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide
PubChem CID4981545
Molecular FormulaC19H18BrClN2O4
Molecular Weight453.72 g/mol
Exact Mass452.01
IUPAC NameN'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C19H18BrClN2O4/c1-3-10-26-16-7-5-4-6-14(16)19(25)23-22-18(24)12(2)27-17-9-8-13(21)11-15(17)20/h3-9,11-12H,1,10H2,2H3,(H,22,24)(H,23,25)
InChIKeyTYDPPJZXSLXVJG-UHFFFAOYSA-N
XLogP3.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.72
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide
CID 4932333
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide
CID 55771819
N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide
CID 17340339
3,5-dichloro-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17133664
4-[2-[2-(2-bromo-4-chlorophenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4981485
2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide
CID 40771324
3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
CID 17342922
5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17094423
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
CID 4981508
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4960851

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide (CID 4981545) is N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Br.
What is the InChIKey of N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide?
The InChIKey is TYDPPJZXSLXVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O4/c1-3-10-26-16-7-5-4-6-14(16)19(25)23-22-18(24)12(2)27-17-9-8-13(21)11-15(17)20/h3-9,11-12H,1,10H2,2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide?
N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide has a molecular weight of 453.72 g/mol, XLogP of 3.90, 7 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-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 4981545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).