4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide

C16H13BrCl2N2O3 — CID 1107974

IUPAC4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H13BrCl2N2O3/c1-9(24-14-7-6-12(18)8-13(14)19)15(22)20-21-16(23)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,20,22)(H,21,23)/t9-/m1/s1
InChIKeyIIKSHPMIGJYXIB-SECBINFHSA-N
MW432.10 g/mol
LogP3.98
Rot. Bonds4

About 4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide

4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide (PubChem CID 1107974) has the molecular formula C16H13BrCl2N2O3 and a molecular weight of 432.10 g/mol. Its IUPAC name is 4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
PubChem CID1107974
Molecular FormulaC16H13BrCl2N2O3
Molecular Weight432.10 g/mol
Exact Mass429.95
IUPAC Name4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H13BrCl2N2O3/c1-9(24-14-7-6-12(18)8-13(14)19)15(22)20-21-16(23)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,20,22)(H,21,23)/t9-/m1/s1
InChIKeyIIKSHPMIGJYXIB-SECBINFHSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.10
LogP ≤ 53.98
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

1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
CID 17177533
3-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 54790817
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
CID 1104980
N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide
CID 2210922
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
CID 4926324
5-bromo-2-butoxy-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 17350239
tert-butyl N-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamate
CID 51573379
5-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-hexoxybenzohydrazide
CID 17343512

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide (CID 1107974) is 4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide?
The InChIKey is IIKSHPMIGJYXIB-SECBINFHSA-N. The full InChI is InChI=1S/C16H13BrCl2N2O3/c1-9(24-14-7-6-12(18)8-13(14)19)15(22)20-21-16(23)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,20,22)(H,21,23)/t9-/m1/s1.
What are the key properties of 4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide?
4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide has a molecular weight of 432.10 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 1107974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).