4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate

C13H15Cl2N2O2- — CID 4564748

IUPAC4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate
SMILESCC(C)=NN=C([O-])CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-9(2)16-17-13(18)4-3-7-19-12-6-5-10(14)8-11(12)15/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)/p-1
InChIKeyDKBXICIPUUUIPV-UHFFFAOYSA-M
MW302.18 g/mol
LogP3.31
Rot. Bonds6

About 4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate

4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate (PubChem CID 4564748) has the molecular formula C13H15Cl2N2O2- and a molecular weight of 302.18 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate
PubChem CID4564748
Molecular FormulaC13H15Cl2N2O2-
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC Name4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate
SMILESCC(C)=NN=C([O-])CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-9(2)16-17-13(18)4-3-7-19-12-6-5-10(14)8-11(12)15/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)/p-1
InChIKeyDKBXICIPUUUIPV-UHFFFAOYSA-M
XLogP3.31
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 4181980
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide
CID 19188450
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)acetic acid
CID 67853868
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735
4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 4095587

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate (CID 4564748) is 4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate is CC(C)=NN=C([O-])CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate?
The InChIKey is DKBXICIPUUUIPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-9(2)16-17-13(18)4-3-7-19-12-6-5-10(14)8-11(12)15/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)/p-1.
What are the key properties of 4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate?
4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate has a molecular weight of 302.18 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-propan-2-ylidenebutanehydrazonate is sourced from PubChem (CID 4564748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).