4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide

C20H19ClN4O4 — CID 55619649

IUPAC4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide
SMILESCOc1ccnc(NNC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)n1
InChIInChI=1S/C20H19ClN4O4/c1-27-17-11-13(19(26)24-25-20-22-10-9-18(23-20)28-2)7-8-16(17)29-12-14-5-3-4-6-15(14)21/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyRCWQFGKQRDMSEJ-UHFFFAOYSA-N
MW414.85 g/mol
LogP3.48
Rot. Bonds8

About 4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide

4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide (PubChem CID 55619649) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide
PubChem CID55619649
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC Name4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide
SMILESCOc1ccnc(NNC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)n1
InChIInChI=1S/C20H19ClN4O4/c1-27-17-11-13(19(26)24-25-20-22-10-9-18(23-20)28-2)7-8-16(17)29-12-14-5-3-4-6-15(14)21/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyRCWQFGKQRDMSEJ-UHFFFAOYSA-N
XLogP3.48
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 53.48
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

4-[(2-chlorophenyl)methoxy]-3-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 55363499
2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide
CID 55619349
4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 25352738
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
4-[(2-chlorophenyl)methoxy]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55395887
N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide
CID 60509400
4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide
CID 24635798
4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide
CID 47916263
phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2454304
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126328066
3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide
CID 86923429

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide (CID 55619649) is 4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide is COc1ccnc(NNC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)n1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide?
The InChIKey is RCWQFGKQRDMSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c1-27-17-11-13(19(26)24-25-20-22-10-9-18(23-20)28-2)7-8-16(17)29-12-14-5-3-4-6-15(14)21/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide?
4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide has a molecular weight of 414.85 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide is sourced from PubChem (CID 55619649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).