(3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide

C18H19ClN2O3 — CID 7978293

IUPAC(3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide
SMILESC[C@H](CC(=O)NNC(=O)COc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-13(14-7-3-2-4-8-14)11-17(22)20-21-18(23)12-24-16-10-6-5-9-15(16)19/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKeyBLOXHRUPDBQKTP-CYBMUJFWSA-N
MW346.81 g/mol
LogP3.06
Rot. Bonds6

About (3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide

(3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide (PubChem CID 7978293) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide.

Molecular Properties

Compound Name(3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide
PubChem CID7978293
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide
SMILESC[C@H](CC(=O)NNC(=O)COc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-13(14-7-3-2-4-8-14)11-17(22)20-21-18(23)12-24-16-10-6-5-9-15(16)19/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKeyBLOXHRUPDBQKTP-CYBMUJFWSA-N
XLogP3.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.06
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

2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139333
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(2-chlorophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 9293522
2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936701
2-(2-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28632217
2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785318
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782216
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide
CID 9470192

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide?
The IUPAC name of (3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide (CID 7978293) is (3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide.
What is the SMILES notation for (3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide?
The canonical SMILES for (3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide is C[C@H](CC(=O)NNC(=O)COc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide?
The InChIKey is BLOXHRUPDBQKTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-13(14-7-3-2-4-8-14)11-17(22)20-21-18(23)12-24-16-10-6-5-9-15(16)19/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)/t13-/m1/s1.
What are the key properties of (3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide?
(3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide has a molecular weight of 346.81 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide is sourced from PubChem (CID 7978293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).