N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide

C19H21BrN2O3S — CID 55821696

IUPACN'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide
SMILESCC(C)Sc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O3S/c1-12(2)26-17-9-7-14(8-10-17)19(24)22-21-18(23)13(3)25-16-6-4-5-15(20)11-16/h4-13H,1-3H3,(H,21,23)(H,22,24)
InChIKeyGOBYQYYTUVIQAG-UHFFFAOYSA-N
MW437.36 g/mol
LogP4.18
Rot. Bonds6

About N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide

N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide (PubChem CID 55821696) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide
PubChem CID55821696
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC NameN'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide
SMILESCC(C)Sc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O3S/c1-12(2)26-17-9-7-14(8-10-17)19(24)22-21-18(23)13(3)25-16-6-4-5-15(20)11-16/h4-13H,1-3H3,(H,21,23)(H,22,24)
InChIKeyGOBYQYYTUVIQAG-UHFFFAOYSA-N
XLogP4.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 54.18
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

N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide
CID 51192759
N'-[(2S)-2-(3-bromophenoxy)propanoyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9154806
N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
CID 55738119
N-[1-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55347885
N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
CID 25485792
N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide
CID 55406624
methyl 2-[4-[[2-(3-bromophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetate
CID 55788990
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-tert-butylbenzamide
CID 55347760
(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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide (CID 55821696) is N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide is CC(C)Sc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(Br)c2)cc1.
What is the InChIKey of N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide?
The InChIKey is GOBYQYYTUVIQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-12(2)26-17-9-7-14(8-10-17)19(24)22-21-18(23)13(3)25-16-6-4-5-15(20)11-16/h4-13H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide?
N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide has a molecular weight of 437.36 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide is sourced from PubChem (CID 55821696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).