N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide

C22H16ClN3O3 — CID 7916431

IUPACN'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide
SMILESN#Cc1cccc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H16ClN3O3/c23-19-8-10-20(11-9-19)29-14-15-4-6-17(7-5-15)21(27)25-26-22(28)18-3-1-2-16(12-18)13-24/h1-12H,14H2,(H,25,27)(H,26,28)
InChIKeyKQDVQWSIYWYMSL-UHFFFAOYSA-N
MW405.84 g/mol
LogP3.87
Rot. Bonds5

About N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide

N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide (PubChem CID 7916431) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide.

Molecular Properties

Compound NameN'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide
PubChem CID7916431
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC NameN'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide
SMILESN#Cc1cccc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H16ClN3O3/c23-19-8-10-20(11-9-19)29-14-15-4-6-17(7-5-15)21(27)25-26-22(28)18-3-1-2-16(12-18)13-24/h1-12H,14H2,(H,25,27)(H,26,28)
InChIKeyKQDVQWSIYWYMSL-UHFFFAOYSA-N
XLogP3.87
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 53.87
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'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide
CID 7910683
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-cyanoanilino)acetamide
CID 109011133
4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide
CID 60584363
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide
CID 24514086
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-3-methoxybenzohydrazide
CID 7941736
3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 146154395
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
4-[(4-chlorophenyl)methoxy]-N-[3-(2-hydroxyacetyl)phenyl]benzamide
CID 23354553

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide?
The IUPAC name of N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide (CID 7916431) is N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide.
What is the SMILES notation for N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide?
The canonical SMILES for N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide is N#Cc1cccc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide?
The InChIKey is KQDVQWSIYWYMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c23-19-8-10-20(11-9-19)29-14-15-4-6-17(7-5-15)21(27)25-26-22(28)18-3-1-2-16(12-18)13-24/h1-12H,14H2,(H,25,27)(H,26,28).
What are the key properties of N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide?
N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide has a molecular weight of 405.84 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide is sourced from PubChem (CID 7916431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).