N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide

C14H12Cl2N4O3 — CID 1108004

IUPACN'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cnccn1
InChIInChI=1S/C14H12Cl2N4O3/c1-8(23-12-3-2-9(15)6-10(12)16)13(21)19-20-14(22)11-7-17-4-5-18-11/h2-8H,1H3,(H,19,21)(H,20,22)/t8-/m1/s1
InChIKeyQFGVYPROYFCQJG-MRVPVSSYSA-N
MW355.18 g/mol
LogP2.01
Rot. Bonds4

About N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide

N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide (PubChem CID 1108004) has the molecular formula C14H12Cl2N4O3 and a molecular weight of 355.18 g/mol. Its IUPAC name is N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide
PubChem CID1108004
Molecular FormulaC14H12Cl2N4O3
Molecular Weight355.18 g/mol
Exact Mass354.03
IUPAC NameN'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cnccn1
InChIInChI=1S/C14H12Cl2N4O3/c1-8(23-12-3-2-9(15)6-10(12)16)13(21)19-20-14(22)11-7-17-4-5-18-11/h2-8H,1H3,(H,19,21)(H,20,22)/t8-/m1/s1
InChIKeyQFGVYPROYFCQJG-MRVPVSSYSA-N
XLogP2.01
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
CID 17177533
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 1107974
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
CID 1104980
2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid
CID 3349728
N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2939243
2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
CID 3349726
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
1-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-3-methylthiourea
CID 40640579
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide (CID 1108004) is N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cnccn1.
What is the InChIKey of N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide?
The InChIKey is QFGVYPROYFCQJG-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O3/c1-8(23-12-3-2-9(15)6-10(12)16)13(21)19-20-14(22)11-7-17-4-5-18-11/h2-8H,1H3,(H,19,21)(H,20,22)/t8-/m1/s1.
What are the key properties of N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide?
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide has a molecular weight of 355.18 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 1108004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).