N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide

C18H19BrN2O3 — CID 25485792

IUPACN'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C18H19BrN2O3/c1-11-7-8-16(12(2)9-11)18(23)21-20-17(22)13(3)24-15-6-4-5-14(19)10-15/h4-10,13H,1-3H3,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKeyONDMXEFWZGPEPA-CYBMUJFWSA-N
MW391.27 g/mol
LogP3.29
Rot. Bonds4

About N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide

N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide (PubChem CID 25485792) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
PubChem CID25485792
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C18H19BrN2O3/c1-11-7-8-16(12(2)9-11)18(23)21-20-17(22)13(3)24-15-6-4-5-14(19)10-15/h4-10,13H,1-3H3,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKeyONDMXEFWZGPEPA-CYBMUJFWSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.29
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'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
N-[1-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55347885
N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide
CID 60550621
N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide
CID 51192759
1-[[(2R)-2-(3-bromophenoxy)propanoyl]amino]-3-(3-methylphenyl)thiourea
CID 8681401
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide
CID 55821696
(2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9370836
N'-[(2S)-2-(3-bromophenoxy)propanoyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9154806
2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide
CID 18104346
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726
N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
CID 55738119

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide (CID 25485792) is N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)c(C)c1.
What is the InChIKey of N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide?
The InChIKey is ONDMXEFWZGPEPA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-11-7-8-16(12(2)9-11)18(23)21-20-17(22)13(3)24-15-6-4-5-14(19)10-15/h4-10,13H,1-3H3,(H,20,22)(H,21,23)/t13-/m1/s1.
What are the key properties of N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide?
N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide has a molecular weight of 391.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 25485792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).