2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide

C22H19ClN2O3 — CID 4956612

IUPAC2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O3/c23-20-9-5-4-8-19(20)22(27)25-24-21(26)17-10-12-18(13-11-17)28-15-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyZYFNIEMTCUPJOM-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.04
Rot. Bonds6

About 2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide

2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide (PubChem CID 4956612) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
PubChem CID4956612
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O3/c23-20-9-5-4-8-19(20)22(27)25-24-21(26)17-10-12-18(13-11-17)28-15-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyZYFNIEMTCUPJOM-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

N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
CID 4956682
2-chloro-N'-[4-(2-methoxyethoxy)benzoyl]benzohydrazide
CID 17353590
N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide
CID 19628253
2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4927887
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
4-(2-phenylethoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4956671
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070
N-methyl-2-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17354045
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide (CID 4956612) is 2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide is O=C(NNC(=O)c1ccccc1Cl)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide?
The InChIKey is ZYFNIEMTCUPJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-20-9-5-4-8-19(20)22(27)25-24-21(26)17-10-12-18(13-11-17)28-15-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of 2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide?
2-chloro-N'-[4-(2-phenylethoxy)benzoyl]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 2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4956612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).