N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide

C17H16BrClN2O3 — CID 17179158

IUPACN'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
SMILESO=C(CCc1ccccc1Cl)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H16BrClN2O3/c18-13-6-8-14(9-7-13)24-11-17(23)21-20-16(22)10-5-12-3-1-2-4-15(12)19/h1-4,6-9H,5,10-11H2,(H,20,22)(H,21,23)
InChIKeyAOYCWDTVRUZTMB-UHFFFAOYSA-N
MW411.68 g/mol
LogP3.26
Rot. Bonds6

About N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide

N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide (PubChem CID 17179158) has the molecular formula C17H16BrClN2O3 and a molecular weight of 411.68 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
PubChem CID17179158
Molecular FormulaC17H16BrClN2O3
Molecular Weight411.68 g/mol
Exact Mass410.00
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
SMILESO=C(CCc1ccccc1Cl)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H16BrClN2O3/c18-13-6-8-14(9-7-13)24-11-17(23)21-20-16(22)10-5-12-3-1-2-4-15(12)19/h1-4,6-9H,5,10-11H2,(H,20,22)(H,21,23)
InChIKeyAOYCWDTVRUZTMB-UHFFFAOYSA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 53.26
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-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
CID 17179188
3-(2-chlorophenyl)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]propanamide
CID 17179466
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443
4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 4501866
N'-[2-(4-bromophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 7809057
N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)propanamide
CID 17179467
[3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-dimethylazanium
CID 9417596
N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31464668
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
3-(2-chlorophenyl)-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]propanamide
CID 17179500
N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide
CID 78775232

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide (CID 17179158) is N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide is O=C(CCc1ccccc1Cl)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide?
The InChIKey is AOYCWDTVRUZTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O3/c18-13-6-8-14(9-7-13)24-11-17(23)21-20-16(22)10-5-12-3-1-2-4-15(12)19/h1-4,6-9H,5,10-11H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide?
N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide has a molecular weight of 411.68 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide is sourced from PubChem (CID 17179158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).