2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide

C16H16BrN3O3 — CID 17435498

IUPAC2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide
SMILESO=C(CNc1ccccc1)NNC(=O)COc1cccc(Br)c1
InChIInChI=1S/C16H16BrN3O3/c17-12-5-4-8-14(9-12)23-11-16(22)20-19-15(21)10-18-13-6-2-1-3-7-13/h1-9,18H,10-11H2,(H,19,21)(H,20,22)
InChIKeyXNXGVPSZLWDZRK-UHFFFAOYSA-N
MW378.23 g/mol
LogP2.09
Rot. Bonds6

About 2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide

2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide (PubChem CID 17435498) has the molecular formula C16H16BrN3O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is 2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide
PubChem CID17435498
Molecular FormulaC16H16BrN3O3
Molecular Weight378.23 g/mol
Exact Mass377.04
IUPAC Name2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide
SMILESO=C(CNc1ccccc1)NNC(=O)COc1cccc(Br)c1
InChIInChI=1S/C16H16BrN3O3/c17-12-5-4-8-14(9-12)23-11-16(22)20-19-15(21)10-18-13-6-2-1-3-7-13/h1-9,18H,10-11H2,(H,19,21)(H,20,22)
InChIKeyXNXGVPSZLWDZRK-UHFFFAOYSA-N
XLogP2.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 52.09
H-Bond Donors ≤ 53
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-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694609
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 7921241
(2R)-2-[[2-(3-bromophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103926914
N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide
CID 35933556
2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide
CID 42280281
2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66174959

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide (CID 17435498) is 2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide is O=C(CNc1ccccc1)NNC(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide?
The InChIKey is XNXGVPSZLWDZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3/c17-12-5-4-8-14(9-12)23-11-16(22)20-19-15(21)10-18-13-6-2-1-3-7-13/h1-9,18H,10-11H2,(H,19,21)(H,20,22).
What are the key properties of 2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide?
2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide has a molecular weight of 378.23 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 17435498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).