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

C19H21BrN2O5 — CID 42910218

IUPACN'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C19H21BrN2O5/c1-4-26-16-10-5-13(11-17(16)25-3)19(24)22-21-18(23)12(2)27-15-8-6-14(20)7-9-15/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYEDLUMUDNWOONV-UHFFFAOYSA-N
MW437.29 g/mol
LogP3.08
Rot. Bonds7

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

N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide (PubChem CID 42910218) has the molecular formula C19H21BrN2O5 and a molecular weight of 437.29 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
PubChem CID42910218
Molecular FormulaC19H21BrN2O5
Molecular Weight437.29 g/mol
Exact Mass436.06
IUPAC NameN'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C19H21BrN2O5/c1-4-26-16-10-5-13(11-17(16)25-3)19(24)22-21-18(23)12(2)27-15-8-6-14(20)7-9-15/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYEDLUMUDNWOONV-UHFFFAOYSA-N
XLogP3.08
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 53.08
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

3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
4-bromo-N-[(2R)-1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 32810239
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide
CID 9343633
methyl 2-[4-[[2-(3-bromophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetate
CID 55788990
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655569
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4953445
[(2S)-1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9151364
N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
CID 55738119

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide (CID 42910218) is N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(Br)cc2)cc1OC.
What is the InChIKey of N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide?
The InChIKey is YEDLUMUDNWOONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O5/c1-4-26-16-10-5-13(11-17(16)25-3)19(24)22-21-18(23)12(2)27-15-8-6-14(20)7-9-15/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide?
N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide has a molecular weight of 437.29 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide is sourced from PubChem (CID 42910218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).