(2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide

C22H21ClN2O4 — CID 8757659

IUPAC(2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O4/c1-14(28-18-12-11-16-7-3-4-8-17(16)13-18)21(26)24-25-22(27)15(2)29-20-10-6-5-9-19(20)23/h3-15H,1-2H3,(H,24,26)(H,25,27)/t14-,15+/m0/s1
InChIKeyLDXUXFFZKCDGAP-LSDHHAIUSA-N
MW412.87 g/mol
LogP3.88
Rot. Bonds6

About (2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide

(2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide (PubChem CID 8757659) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is (2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
PubChem CID8757659
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC Name(2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O4/c1-14(28-18-12-11-16-7-3-4-8-17(16)13-18)21(26)24-25-22(27)15(2)29-20-10-6-5-9-19(20)23/h3-15H,1-2H3,(H,24,26)(H,25,27)/t14-,15+/m0/s1
InChIKeyLDXUXFFZKCDGAP-LSDHHAIUSA-N
XLogP3.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N'-[(2R)-2-(2-methylphenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757616
2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003659
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
N'-(2-naphthalen-2-yloxypropanoyl)cyclopropanecarbohydrazide
CID 4940181
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 55405875
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
2-(2-chlorophenoxy)-N'-[2-(4-chlorophenoxy)acetyl]propanehydrazide
CID 4932195
1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea
CID 26871400
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624
N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide
CID 8757694

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide?
The IUPAC name of (2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide (CID 8757659) is (2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide.
What is the SMILES notation for (2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide?
The canonical SMILES for (2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide is C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1Cl.
What is the InChIKey of (2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide?
The InChIKey is LDXUXFFZKCDGAP-LSDHHAIUSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c1-14(28-18-12-11-16-7-3-4-8-17(16)13-18)21(26)24-25-22(27)15(2)29-20-10-6-5-9-19(20)23/h3-15H,1-2H3,(H,24,26)(H,25,27)/t14-,15+/m0/s1.
What are the key properties of (2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide?
(2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide has a molecular weight of 412.87 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide is sourced from PubChem (CID 8757659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).