(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide

C12H15BrN2O3S — CID 9370776

IUPAC(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
SMILESCSCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O3S/c1-8(12(17)15-14-11(16)7-19-2)18-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)/t8-/m1/s1
InChIKeyICTMBXRZBHWPLX-MRVPVSSYSA-N
MW347.23 g/mol
LogP1.73
Rot. Bonds5

About (2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide

(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide (PubChem CID 9370776) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
PubChem CID9370776
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
SMILESCSCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O3S/c1-8(12(17)15-14-11(16)7-19-2)18-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)/t8-/m1/s1
InChIKeyICTMBXRZBHWPLX-MRVPVSSYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
(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
(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide
CID 9154984
2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
CID 55789410
N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide
CID 4791447
N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide
CID 55347940
2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide
CID 17496367
5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 55347873

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide (CID 9370776) is (2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide is CSCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide?
The InChIKey is ICTMBXRZBHWPLX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-8(12(17)15-14-11(16)7-19-2)18-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide?
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide has a molecular weight of 347.23 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide is sourced from PubChem (CID 9370776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).