N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide

C22H18Cl2N2O3S — CID 16546809

IUPACN'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide
SMILESO=C(COc1ccccc1Cl)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18Cl2N2O3S/c23-17-9-11-18(12-10-17)30-14-15-5-7-16(8-6-15)22(28)26-25-21(27)13-29-20-4-2-1-3-19(20)24/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyCZZLHSNVFVRMLB-UHFFFAOYSA-N
MW461.37 g/mol
LogP5.13
Rot. Bonds7

About N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide

N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide (PubChem CID 16546809) has the molecular formula C22H18Cl2N2O3S and a molecular weight of 461.37 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide
PubChem CID16546809
Molecular FormulaC22H18Cl2N2O3S
Molecular Weight461.37 g/mol
Exact Mass460.04
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide
SMILESO=C(COc1ccccc1Cl)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18Cl2N2O3S/c23-17-9-11-18(12-10-17)30-14-15-5-7-16(8-6-15)22(28)26-25-21(27)13-29-20-4-2-1-3-19(20)24/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyCZZLHSNVFVRMLB-UHFFFAOYSA-N
XLogP5.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.37
LogP ≤ 55.13
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'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide
CID 24537705
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 24535807
N'-[2-(4-chlorophenoxy)acetyl]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 24535782
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide
CID 43002203
N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide
CID 17467699
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 139753747
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
N-tert-butyl-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7987976

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide (CID 16546809) is N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide is O=C(COc1ccccc1Cl)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide?
The InChIKey is CZZLHSNVFVRMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3S/c23-17-9-11-18(12-10-17)30-14-15-5-7-16(8-6-15)22(28)26-25-21(27)13-29-20-4-2-1-3-19(20)24/h1-12H,13-14H2,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide has a molecular weight of 461.37 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 16546809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).