N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide

C20H17ClN2O2 — CID 75479031

IUPACN'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide
SMILESO=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C20H17ClN2O2/c21-18-13-16(11-12-19(18)24)20(25)22-23(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13,24H,14H2,(H,22,25)
InChIKeyJSSZFMOUZQLVLL-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.40
Rot. Bonds5

About N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide

N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide (PubChem CID 75479031) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide
PubChem CID75479031
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC NameN'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide
SMILESO=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C20H17ClN2O2/c21-18-13-16(11-12-19(18)24)20(25)22-23(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13,24H,14H2,(H,22,25)
InChIKeyJSSZFMOUZQLVLL-UHFFFAOYSA-N
XLogP4.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide
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3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide
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3-chloro-4-hydroxybenzohydrazide
CID 10954268
N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide
CID 9206606
N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
CID 114307203
benzyl 3-chloro-4-hydroxybenzoate
CID 54290465
4-[(N-benzylanilino)carbamoyl]-N-prop-2-ynylbenzenesulfonamide
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N'-benzyl-2,2,2-trifluoro-N'-phenylacetohydrazide
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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide?
The IUPAC name of N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide (CID 75479031) is N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide.
What is the SMILES notation for N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide?
The canonical SMILES for N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide is O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide?
The InChIKey is JSSZFMOUZQLVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-18-13-16(11-12-19(18)24)20(25)22-23(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13,24H,14H2,(H,22,25).
What are the key properties of N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide?
N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide has a molecular weight of 352.82 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide is sourced from PubChem (CID 75479031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).