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

C13H16BrClN2O3 — CID 17340339

IUPACN'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide
SMILESCCCC(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C13H16BrClN2O3/c1-3-4-12(18)16-17-13(19)8(2)20-11-6-5-9(15)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVDNRFYJIXZFRQN-UHFFFAOYSA-N
MW363.64 g/mol
LogP2.82
Rot. Bonds5

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

N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide (PubChem CID 17340339) has the molecular formula C13H16BrClN2O3 and a molecular weight of 363.64 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide
PubChem CID17340339
Molecular FormulaC13H16BrClN2O3
Molecular Weight363.64 g/mol
Exact Mass362.00
IUPAC NameN'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide
SMILESCCCC(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C13H16BrClN2O3/c1-3-4-12(18)16-17-13(19)8(2)20-11-6-5-9(15)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVDNRFYJIXZFRQN-UHFFFAOYSA-N
XLogP2.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 52.82
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-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540
4-[2-[2-(2-bromo-4-chlorophenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4981485
N-[3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17187626
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
CID 4981508
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide
CID 55542671
2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43417581
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283555
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide?
The IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide (CID 17340339) is N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide is CCCC(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Br.
What is the InChIKey of N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide?
The InChIKey is VDNRFYJIXZFRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O3/c1-3-4-12(18)16-17-13(19)8(2)20-11-6-5-9(15)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide?
N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide has a molecular weight of 363.64 g/mol, XLogP of 2.82, 5 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-chlorophenoxy)propanoyl]butanehydrazide is sourced from PubChem (CID 17340339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).