2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide

C18H14Cl2N4O — CID 2257109

IUPAC2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide
SMILESCc1nc(NNC(=O)c2ccc(Cl)cc2Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C18H14Cl2N4O/c1-11-21-16(12-5-3-2-4-6-12)10-17(22-11)23-24-18(25)14-8-7-13(19)9-15(14)20/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyDLSHLMVPPWSRLA-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.52
Rot. Bonds4

About 2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide

2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide (PubChem CID 2257109) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide
PubChem CID2257109
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide
SMILESCc1nc(NNC(=O)c2ccc(Cl)cc2Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C18H14Cl2N4O/c1-11-21-16(12-5-3-2-4-6-12)10-17(22-11)23-24-18(25)14-8-7-13(19)9-15(14)20/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyDLSHLMVPPWSRLA-UHFFFAOYSA-N
XLogP4.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.52
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide (CID 2257109) is 2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide?
The canonical SMILES for 2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide is Cc1nc(NNC(=O)c2ccc(Cl)cc2Cl)cc(-c2ccccc2)n1.
What is the InChIKey of 2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide?
The InChIKey is DLSHLMVPPWSRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-11-21-16(12-5-3-2-4-6-12)10-17(22-11)23-24-18(25)14-8-7-13(19)9-15(14)20/h2-10H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide?
2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide has a molecular weight of 373.24 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide is sourced from PubChem (CID 2257109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).