(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide

C19H21BrN2O3 — CID 9370726

IUPAC(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
SMILESCc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1C
InChIInChI=1S/C19H21BrN2O3/c1-12-7-8-15(9-13(12)2)10-18(23)21-22-19(24)14(3)25-17-6-4-5-16(20)11-17/h4-9,11,14H,10H2,1-3H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyMLIZUJUQLTTZTJ-CQSZACIVSA-N
MW405.29 g/mol
LogP3.22
Rot. Bonds5

About (2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide

(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide (PubChem CID 9370726) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
PubChem CID9370726
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
SMILESCc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1C
InChIInChI=1S/C19H21BrN2O3/c1-12-7-8-15(9-13(12)2)10-18(23)21-22-19(24)14(3)25-17-6-4-5-16(20)11-17/h4-9,11,14H,10H2,1-3H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyMLIZUJUQLTTZTJ-CQSZACIVSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.22
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-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide
CID 17496367
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 55347873
2-(3-bromophenoxy)-N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]propanehydrazide
CID 46656899
N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9370870
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide (CID 9370726) is (2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide is Cc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1C.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide?
The InChIKey is MLIZUJUQLTTZTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-12-7-8-15(9-13(12)2)10-18(23)21-22-19(24)14(3)25-17-6-4-5-16(20)11-17/h4-9,11,14H,10H2,1-3H3,(H,21,23)(H,22,24)/t14-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide?
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide has a molecular weight of 405.29 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide is sourced from PubChem (CID 9370726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).