(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide

C20H23ClN2O4 — CID 26250791

IUPAC(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H23ClN2O4/c1-12-6-5-7-18(13(12)2)27-15(4)20(25)23-22-19(24)14(3)26-17-10-8-16(21)9-11-17/h5-11,14-15H,1-4H3,(H,22,24)(H,23,25)/t14-,15-/m1/s1
InChIKeyQURWXRHOFFDMKL-HUUCEWRRSA-N
MW390.87 g/mol
LogP3.34
Rot. Bonds6

About (2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide

(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide (PubChem CID 26250791) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
PubChem CID26250791
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H23ClN2O4/c1-12-6-5-7-18(13(12)2)27-15(4)20(25)23-22-19(24)14(3)26-17-10-8-16(21)9-11-17/h5-11,14-15H,1-4H3,(H,22,24)(H,23,25)/t14-,15-/m1/s1
InChIKeyQURWXRHOFFDMKL-HUUCEWRRSA-N
XLogP3.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.34
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

2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94011813
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide
CID 8640532
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethoxyphenyl)acetyl]propanehydrazide
CID 78780492
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 55341964
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
CID 43004014

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide (CID 26250791) is (2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide is Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1C.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide?
The InChIKey is QURWXRHOFFDMKL-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-12-6-5-7-18(13(12)2)27-15(4)20(25)23-22-19(24)14(3)26-17-10-8-16(21)9-11-17/h5-11,14-15H,1-4H3,(H,22,24)(H,23,25)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide?
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide has a molecular weight of 390.87 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide is sourced from PubChem (CID 26250791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).