4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid

C14H16Cl2N2O5 — CID 4252186

IUPAC4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid
SMILESCCC(Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)CCC(=O)O
InChIInChI=1S/C14H16Cl2N2O5/c1-2-10(23-11-7-8(15)3-4-9(11)16)14(22)18-17-12(19)5-6-13(20)21/h3-4,7,10H,2,5-6H2,1H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyKCGYDAZAUJNPDH-UHFFFAOYSA-N
MW363.20 g/mol
LogP2.16
Rot. Bonds7

About 4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid

4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid (PubChem CID 4252186) has the molecular formula C14H16Cl2N2O5 and a molecular weight of 363.20 g/mol. Its IUPAC name is 4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid
PubChem CID4252186
Molecular FormulaC14H16Cl2N2O5
Molecular Weight363.20 g/mol
Exact Mass362.04
IUPAC Name4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid
SMILESCCC(Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)CCC(=O)O
InChIInChI=1S/C14H16Cl2N2O5/c1-2-10(23-11-7-8(15)3-4-9(11)16)14(22)18-17-12(19)5-6-13(20)21/h3-4,7,10H,2,5-6H2,1H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyKCGYDAZAUJNPDH-UHFFFAOYSA-N
XLogP2.16
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3R,4S)-3-[[[(2R)-2-(2,5-dichlorophenoxy)butanoyl]amino]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100708543
(1S,2S,3R,4R)-3-[[[(2S)-2-(2,5-dichlorophenoxy)butanoyl]amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 27526599
2-(2,5-dichlorophenoxy)butanamide
CID 62901251
(2S)-N-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-(2,5-dichlorophenoxy)butanamide
CID 51417522
(2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 994885
ethyl 2-(2,5-dichlorophenoxy)pentanoate
CID 83038151
methyl 2-(2,5-dichlorophenoxy)hexanoate
CID 113373433
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide
CID 4929839
(2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride
CID 68946272
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid (CID 4252186) is 4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid is CCC(Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)CCC(=O)O.
What is the InChIKey of 4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid?
The InChIKey is KCGYDAZAUJNPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O5/c1-2-10(23-11-7-8(15)3-4-9(11)16)14(22)18-17-12(19)5-6-13(20)21/h3-4,7,10H,2,5-6H2,1H3,(H,17,19)(H,18,22)(H,20,21).
What are the key properties of 4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid?
4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid has a molecular weight of 363.20 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,5-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoic acid is sourced from PubChem (CID 4252186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).