N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

C17H15ClN2O4 — CID 31727289

IUPACN'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15ClN2O4/c18-13-4-1-11(2-5-13)9-16(21)19-20-17(22)12-3-6-14-15(10-12)24-8-7-23-14/h1-6,10H,7-9H2,(H,19,21)(H,20,22)
InChIKeyCZNCHKDHQLQYEL-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.11
Rot. Bonds3

About N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (PubChem CID 31727289) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
PubChem CID31727289
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15ClN2O4/c18-13-4-1-11(2-5-13)9-16(21)19-20-17(22)12-3-6-14-15(10-12)24-8-7-23-14/h1-6,10H,7-9H2,(H,19,21)(H,20,22)
InChIKeyCZNCHKDHQLQYEL-UHFFFAOYSA-N
XLogP2.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-butylphenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55454332
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 4789099
1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)thiourea
CID 9469212
N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 47129790
N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
CID 78784923
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39549294
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]acetamide
CID 110370533
N'-[4-(4-methylphenyl)butanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55772952
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 4789720

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (CID 31727289) is N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The InChIKey is CZNCHKDHQLQYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c18-13-4-1-11(2-5-13)9-16(21)19-20-17(22)12-3-6-14-15(10-12)24-8-7-23-14/h1-6,10H,7-9H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide has a molecular weight of 346.77 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is sourced from PubChem (CID 31727289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).