N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide

C14H19BrN2O3 — CID 43042560

IUPACN'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
SMILESCCC(C)C(=O)NNC(=O)C(C)Oc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-4-9(2)13(18)16-17-14(19)10(3)20-12-7-5-6-11(15)8-12/h5-10H,4H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyMJSQXKYZLUSMRB-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.41
Rot. Bonds5

About N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide

N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide (PubChem CID 43042560) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
PubChem CID43042560
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
SMILESCCC(C)C(=O)NNC(=O)C(C)Oc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-4-9(2)13(18)16-17-14(19)10(3)20-12-7-5-6-11(15)8-12/h5-10H,4H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyMJSQXKYZLUSMRB-UHFFFAOYSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.41
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

2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
N-[(2S,3S)-1-[2-[(2S)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 98891748
(2R)-2-(3-bromophenoxy)-N-(2,6-diethylphenyl)propanamide
CID 1177372
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
2-[2-(3-bromophenoxy)propanoylamino]-3-methylbutanamide
CID 71999443
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
CID 55789410
N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide
CID 51192759

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide (CID 43042560) is N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide is CCC(C)C(=O)NNC(=O)C(C)Oc1cccc(Br)c1.
What is the InChIKey of N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide?
The InChIKey is MJSQXKYZLUSMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-4-9(2)13(18)16-17-14(19)10(3)20-12-7-5-6-11(15)8-12/h5-10H,4H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide?
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide has a molecular weight of 343.22 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide is sourced from PubChem (CID 43042560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).