N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide

C18H17BrF2N2O5 — CID 55738119

IUPACN'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(Br)c2)cc1OC(F)F
InChIInChI=1S/C18H17BrF2N2O5/c1-10(27-13-5-3-4-12(19)9-13)16(24)22-23-17(25)11-6-7-14(26-2)15(8-11)28-18(20)21/h3-10,18H,1-2H3,(H,22,24)(H,23,25)
InChIKeyFLJCUMMSXCYFGC-UHFFFAOYSA-N
MW459.24 g/mol
LogP3.29
Rot. Bonds7

About N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide

N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide (PubChem CID 55738119) has the molecular formula C18H17BrF2N2O5 and a molecular weight of 459.24 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
PubChem CID55738119
Molecular FormulaC18H17BrF2N2O5
Molecular Weight459.24 g/mol
Exact Mass458.03
IUPAC NameN'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(Br)c2)cc1OC(F)F
InChIInChI=1S/C18H17BrF2N2O5/c1-10(27-13-5-3-4-12(19)9-13)16(24)22-23-17(25)11-6-7-14(26-2)15(8-11)28-18(20)21/h3-10,18H,1-2H3,(H,22,24)(H,23,25)
InChIKeyFLJCUMMSXCYFGC-UHFFFAOYSA-N
XLogP3.29
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.24
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[[2-(3-bromophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetate
CID 55788990
N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide
CID 51192759
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
N'-[(2S)-2-(3-bromophenoxy)propanoyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9154806
N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide
CID 55821696
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535
N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 42910218
4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide
CID 55738000
N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide
CID 55406624
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
CID 25485792
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide (CID 55738119) is N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(Br)c2)cc1OC(F)F.
What is the InChIKey of N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide?
The InChIKey is FLJCUMMSXCYFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O5/c1-10(27-13-5-3-4-12(19)9-13)16(24)22-23-17(25)11-6-7-14(26-2)15(8-11)28-18(20)21/h3-10,18H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide?
N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide has a molecular weight of 459.24 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide is sourced from PubChem (CID 55738119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).