2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

C18H17Cl2N3O4 — CID 7386268

IUPAC2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O4/c1-10-3-6-13(7-4-10)21-17(25)18(26)23-22-16(24)11(2)27-15-8-5-12(19)9-14(15)20/h3-9,11H,1-2H3,(H,21,25)(H,22,24)(H,23,26)/t11-/m0/s1
InChIKeyMOGNANYONIOEMQ-NSHDSACASA-N
MW410.26 g/mol
LogP2.86
Rot. Bonds4

About 2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 7386268) has the molecular formula C18H17Cl2N3O4 and a molecular weight of 410.26 g/mol. Its IUPAC name is 2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID7386268
Molecular FormulaC18H17Cl2N3O4
Molecular Weight410.26 g/mol
Exact Mass409.06
IUPAC Name2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O4/c1-10-3-6-13(7-4-10)21-17(25)18(26)23-22-16(24)11(2)27-15-8-5-12(19)9-14(15)20/h3-9,11H,1-2H3,(H,21,25)(H,22,24)(H,23,26)/t11-/m0/s1
InChIKeyMOGNANYONIOEMQ-NSHDSACASA-N
XLogP2.86
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-2-oxo-N-phenylacetamide
CID 17078734
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(2,5-dichlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2588733
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide
CID 2210922
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (CID 7386268) is 2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is MOGNANYONIOEMQ-NSHDSACASA-N. The full InChI is InChI=1S/C18H17Cl2N3O4/c1-10-3-6-13(7-4-10)21-17(25)18(26)23-22-16(24)11(2)27-15-8-5-12(19)9-14(15)20/h3-9,11H,1-2H3,(H,21,25)(H,22,24)(H,23,26)/t11-/m0/s1.
What are the key properties of 2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 410.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 7386268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).