N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide

C14H18Cl2N2O3 — CID 41387582

IUPACN'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
SMILESCC(C)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-8(2)6-13(19)17-18-14(20)9(3)21-12-5-4-10(15)7-11(12)16/h4-5,7-9H,6H2,1-3H3,(H,17,19)(H,18,20)/t9-/m1/s1
InChIKeyHZRRRMSUFRWYAD-SECBINFHSA-N
MW333.22 g/mol
LogP2.95
Rot. Bonds5

About N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide

N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide (PubChem CID 41387582) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
PubChem CID41387582
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC NameN'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
SMILESCC(C)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-8(2)6-13(19)17-18-14(20)9(3)21-12-5-4-10(15)7-11(12)16/h4-5,7-9H,6H2,1-3H3,(H,17,19)(H,18,20)/t9-/m1/s1
InChIKeyHZRRRMSUFRWYAD-SECBINFHSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.95
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

(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331
2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
CID 3349726
1-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-3-methylthiourea
CID 40640579
N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 5120294
2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide
CID 3120247
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 7386251

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide?
The IUPAC name of N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide (CID 41387582) is N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide.
What is the SMILES notation for N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide?
The canonical SMILES for N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide is CC(C)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide?
The InChIKey is HZRRRMSUFRWYAD-SECBINFHSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-8(2)6-13(19)17-18-14(20)9(3)21-12-5-4-10(15)7-11(12)16/h4-5,7-9H,6H2,1-3H3,(H,17,19)(H,18,20)/t9-/m1/s1.
What are the key properties of N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide?
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide has a molecular weight of 333.22 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide is sourced from PubChem (CID 41387582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).