N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide

C22H19ClN2O3 — CID 4956611

IUPACN'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O3/c23-19-10-6-17(7-11-19)21(26)24-25-22(27)18-8-12-20(13-9-18)28-15-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeySQUCAZVFPULHDL-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.04
Rot. Bonds6

About N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide

N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide (PubChem CID 4956611) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
PubChem CID4956611
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC NameN'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O3/c23-19-10-6-17(7-11-19)21(26)24-25-22(27)18-8-12-20(13-9-18)28-15-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeySQUCAZVFPULHDL-UHFFFAOYSA-N
XLogP4.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.04
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

2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
CID 4956612
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
CID 4956682
4-(2-phenylethoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4956671
N'-[2-(4-methoxyphenoxy)acetyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956591
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348
N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide
CID 4956632
4-(2-phenoxyethoxy)-N'-(3-phenylpropanoyl)benzohydrazide
CID 4952848
2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid
CID 66812668
4-(2-phenoxyethoxy)-N'-(2-phenylacetyl)benzohydrazide
CID 4952867
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide (CID 4956611) is N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide is O=C(NNC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide?
The InChIKey is SQUCAZVFPULHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-19-10-6-17(7-11-19)21(26)24-25-22(27)18-8-12-20(13-9-18)28-15-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide?
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide has a molecular weight of 394.86 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide is sourced from PubChem (CID 4956611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).