N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide

C19H17ClN4O4 — CID 4152975

IUPACN'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)NNc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClN4O4/c1-26-16-11-17(27-2)22-19(21-16)28-15-6-4-3-5-14(15)18(25)24-23-13-9-7-12(20)8-10-13/h3-11,23H,1-2H3,(H,24,25)
InChIKeyFZSULSJVFOSFIW-UHFFFAOYSA-N
MW400.82 g/mol
LogP3.70
Rot. Bonds7

About N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide

N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide (PubChem CID 4152975) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide
PubChem CID4152975
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC NameN'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)NNc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClN4O4/c1-26-16-11-17(27-2)22-19(21-16)28-15-6-4-3-5-14(15)18(25)24-23-13-9-7-12(20)8-10-13/h3-11,23H,1-2H3,(H,24,25)
InChIKeyFZSULSJVFOSFIW-UHFFFAOYSA-N
XLogP3.70
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide
CID 4152971
methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate
CID 20788772
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 20788759
methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
CID 1214892
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 3475258
N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 20850303
diethyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pentanedioate
CID 3576006
4-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 15611931
methyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pent-4-enoate
CID 20788800
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 20788818
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 143053328

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide?
The IUPAC name of N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide (CID 4152975) is N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide is COc1cc(OC)nc(Oc2ccccc2C(=O)NNc2ccc(Cl)cc2)n1.
What is the InChIKey of N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide?
The InChIKey is FZSULSJVFOSFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c1-26-16-11-17(27-2)22-19(21-16)28-15-6-4-3-5-14(15)18(25)24-23-13-9-7-12(20)8-10-13/h3-11,23H,1-2H3,(H,24,25).
What are the key properties of N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide?
N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide has a molecular weight of 400.82 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide is sourced from PubChem (CID 4152975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).