(2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide

C21H18ClFN2O3 — CID 7760909

IUPAC(2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C21H18ClFN2O3/c1-13(28-16-10-9-14-5-2-3-6-15(14)11-16)21(27)25-24-20(26)12-17-18(22)7-4-8-19(17)23/h2-11,13H,12H2,1H3,(H,24,26)(H,25,27)/t13-/m1/s1
InChIKeyDKFWTNDBSURDTO-CYBMUJFWSA-N
MW400.84 g/mol
LogP3.79
Rot. Bonds5

About (2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide

(2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide (PubChem CID 7760909) has the molecular formula C21H18ClFN2O3 and a molecular weight of 400.84 g/mol. Its IUPAC name is (2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
PubChem CID7760909
Molecular FormulaC21H18ClFN2O3
Molecular Weight400.84 g/mol
Exact Mass400.10
IUPAC Name(2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C21H18ClFN2O3/c1-13(28-16-10-9-14-5-2-3-6-15(14)11-16)21(27)25-24-20(26)12-17-18(22)7-4-8-19(17)23/h2-11,13H,12H2,1H3,(H,24,26)(H,25,27)/t13-/m1/s1
InChIKeyDKFWTNDBSURDTO-CYBMUJFWSA-N
XLogP3.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 53.79
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-(2-chloro-6-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 4820851
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
(2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7760988
(2R)-N'-[2-(2-fluorophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927377
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
(2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757659
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003659
N'-acetyl-2-(2-chloro-6-fluorophenyl)acetohydrazide
CID 30905798
(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9368212
(2S)-N-(2,6-difluorophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561465
methyl 4-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-4-oxobutanoate
CID 8757583

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The IUPAC name of (2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide (CID 7760909) is (2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide.
What is the SMILES notation for (2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The canonical SMILES for (2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide is C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of (2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The InChIKey is DKFWTNDBSURDTO-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18ClFN2O3/c1-13(28-16-10-9-14-5-2-3-6-15(14)11-16)21(27)25-24-20(26)12-17-18(22)7-4-8-19(17)23/h2-11,13H,12H2,1H3,(H,24,26)(H,25,27)/t13-/m1/s1.
What are the key properties of (2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
(2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide has a molecular weight of 400.84 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide is sourced from PubChem (CID 7760909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).