(1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide

C16H18Cl2N2O3 — CID 1378778

IUPAC(1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1Cl)NNC(=O)C1[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C16H18Cl2N2O3/c17-9-5-6-13(12(18)7-9)23-8-14(21)19-20-16(22)15-10-3-1-2-4-11(10)15/h5-7,10-11,15H,1-4,8H2,(H,19,21)(H,20,22)/t10-,11-/m1/s1
InChIKeyORPVYBUKBWJCGV-GHMZBOCLSA-N
MW357.24 g/mol
LogP2.96
Rot. Bonds4

About (1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide

(1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide (PubChem CID 1378778) has the molecular formula C16H18Cl2N2O3 and a molecular weight of 357.24 g/mol. Its IUPAC name is (1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide.

Molecular Properties

Compound Name(1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide
PubChem CID1378778
Molecular FormulaC16H18Cl2N2O3
Molecular Weight357.24 g/mol
Exact Mass356.07
IUPAC Name(1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1Cl)NNC(=O)C1[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C16H18Cl2N2O3/c17-9-5-6-13(12(18)7-9)23-8-14(21)19-20-16(22)15-10-3-1-2-4-11(10)15/h5-7,10-11,15H,1-4,8H2,(H,19,21)(H,20,22)/t10-,11-/m1/s1
InChIKeyORPVYBUKBWJCGV-GHMZBOCLSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide with MolForge

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Related Compounds

cis-(1R,2S)-2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 40546144
2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 5227187
N-cyclopentyloxy-2-(2,4-dichlorophenoxy)acetamide
CID 83202778
1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide
CID 17479123
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 575319
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide?
The IUPAC name of (1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide (CID 1378778) is (1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide.
What is the SMILES notation for (1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide?
The canonical SMILES for (1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide is O=C(COc1ccc(Cl)cc1Cl)NNC(=O)C1[C@@H]2CCCC[C@@H]12.
What is the InChIKey of (1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide?
The InChIKey is ORPVYBUKBWJCGV-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3/c17-9-5-6-13(12(18)7-9)23-8-14(21)19-20-16(22)15-10-3-1-2-4-11(10)15/h5-7,10-11,15H,1-4,8H2,(H,19,21)(H,20,22)/t10-,11-/m1/s1.
What are the key properties of (1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide?
(1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide has a molecular weight of 357.24 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide is sourced from PubChem (CID 1378778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).