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

C21H25ClN2O3 — CID 17179188

IUPACN'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
SMILESCCC(C)c1ccc(OCC(=O)NNC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O3/c1-3-15(2)16-8-11-18(12-9-16)27-14-21(26)24-23-20(25)13-10-17-6-4-5-7-19(17)22/h4-9,11-12,15H,3,10,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZDSJXGWZPDSOBP-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.01
Rot. Bonds8

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

N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide (PubChem CID 17179188) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
PubChem CID17179188
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
SMILESCCC(C)c1ccc(OCC(=O)NNC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O3/c1-3-15(2)16-8-11-18(12-9-16)27-14-21(26)24-23-20(25)13-10-17-6-4-5-7-19(17)22/h4-9,11-12,15H,3,10,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZDSJXGWZPDSOBP-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.01
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-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
CID 17179158
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443
N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 2965039
3-(2-chlorophenyl)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]propanamide
CID 17179466
methyl 3-[2-[2-(4-butan-2-ylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 43886949
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 7643309
N-[4-[(2R)-butan-2-yl]phenyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 8814272
N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513816
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 2965045
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide?
The IUPAC name of N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide (CID 17179188) is N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide.
What is the SMILES notation for N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide?
The canonical SMILES for N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide is CCC(C)c1ccc(OCC(=O)NNC(=O)CCc2ccccc2Cl)cc1.
What is the InChIKey of N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide?
The InChIKey is ZDSJXGWZPDSOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-3-15(2)16-8-11-18(12-9-16)27-14-21(26)24-23-20(25)13-10-17-6-4-5-7-19(17)22/h4-9,11-12,15H,3,10,13-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide?
N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide has a molecular weight of 388.90 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide is sourced from PubChem (CID 17179188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).