3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide

C18H17BrCl2N2O4 — CID 17355468

IUPAC3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C18H17BrCl2N2O4/c1-10(2)27-15-5-3-11(7-13(15)19)18(25)23-22-17(24)9-26-16-6-4-12(20)8-14(16)21/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMSVBTANSHVXNQB-UHFFFAOYSA-N
MW476.15 g/mol
LogP4.38
Rot. Bonds6

About 3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide

3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide (PubChem CID 17355468) has the molecular formula C18H17BrCl2N2O4 and a molecular weight of 476.15 g/mol. Its IUPAC name is 3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
PubChem CID17355468
Molecular FormulaC18H17BrCl2N2O4
Molecular Weight476.15 g/mol
Exact Mass473.97
IUPAC Name3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C18H17BrCl2N2O4/c1-10(2)27-15-5-3-11(7-13(15)19)18(25)23-22-17(24)9-26-16-6-4-12(20)8-14(16)21/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMSVBTANSHVXNQB-UHFFFAOYSA-N
XLogP4.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.15
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952085
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
CID 17178356
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 5245314
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045697
3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17046013
N-[4-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 5120298
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide (CID 17355468) is 3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide is CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br.
What is the InChIKey of 3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide?
The InChIKey is MSVBTANSHVXNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrCl2N2O4/c1-10(2)27-15-5-3-11(7-13(15)19)18(25)23-22-17(24)9-26-16-6-4-12(20)8-14(16)21/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide?
3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide has a molecular weight of 476.15 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 17355468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).