N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide

C21H17ClN2O3 — CID 4880251

IUPACN'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H17ClN2O3/c22-18-10-12-19(13-11-18)27-14-15-6-8-17(9-7-15)21(26)24-23-20(25)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyKANMADSIPKAJQX-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.99
Rot. Bonds5

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

N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide (PubChem CID 4880251) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
PubChem CID4880251
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC NameN'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H17ClN2O3/c22-18-10-12-19(13-11-18)27-14-15-6-8-17(9-7-15)21(26)24-23-20(25)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyKANMADSIPKAJQX-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.99
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-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide
CID 7916431
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
[1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 24637062
N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide
CID 24514086
2-benzamido-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768878
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide
CID 46651058

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide?
The IUPAC name of N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide (CID 4880251) is N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide.
What is the SMILES notation for N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide?
The canonical SMILES for N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide is O=C(NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccccc1.
What is the InChIKey of N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide?
The InChIKey is KANMADSIPKAJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-18-10-12-19(13-11-18)27-14-15-6-8-17(9-7-15)21(26)24-23-20(25)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25)(H,24,26).
What are the key properties of N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide?
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide has a molecular weight of 380.83 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 4880251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).