1,4-dichloro-N-methylphthalazine-6-carboxamide

C10H7Cl2N3O — CID 118460869

IUPAC1,4-dichloro-N-methylphthalazine-6-carboxamide
SMILESCNC(=O)c1ccc2c(Cl)nnc(Cl)c2c1
InChIInChI=1S/C10H7Cl2N3O/c1-13-10(16)5-2-3-6-7(4-5)9(12)15-14-8(6)11/h2-4H,1H3,(H,13,16)
InChIKeyCXPMGLGPERHTLM-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.30
Rot. Bonds1

About 1,4-dichloro-N-methylphthalazine-6-carboxamide

1,4-dichloro-N-methylphthalazine-6-carboxamide (PubChem CID 118460869) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 1,4-dichloro-N-methylphthalazine-6-carboxamide.

Molecular Properties

Compound Name1,4-dichloro-N-methylphthalazine-6-carboxamide
PubChem CID118460869
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name1,4-dichloro-N-methylphthalazine-6-carboxamide
SMILESCNC(=O)c1ccc2c(Cl)nnc(Cl)c2c1
InChIInChI=1S/C10H7Cl2N3O/c1-13-10(16)5-2-3-6-7(4-5)9(12)15-14-8(6)11/h2-4H,1H3,(H,13,16)
InChIKeyCXPMGLGPERHTLM-UHFFFAOYSA-N
XLogP2.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1,4-dichloro-N-[3-(piperidin-1-ylmethyl)phenyl]phthalazine-6-carboxamide
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2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103758998
3,4-ditert-butyl-N-methylbenzamide
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[4-(methylcarbamoyl)phenyl] carbamate
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2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
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3-bromo-N,1-dimethylindole-6-carboxamide
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CID 143416894

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-N-methylphthalazine-6-carboxamide?
The IUPAC name of 1,4-dichloro-N-methylphthalazine-6-carboxamide (CID 118460869) is 1,4-dichloro-N-methylphthalazine-6-carboxamide.
What is the SMILES notation for 1,4-dichloro-N-methylphthalazine-6-carboxamide?
The canonical SMILES for 1,4-dichloro-N-methylphthalazine-6-carboxamide is CNC(=O)c1ccc2c(Cl)nnc(Cl)c2c1.
What is the InChIKey of 1,4-dichloro-N-methylphthalazine-6-carboxamide?
The InChIKey is CXPMGLGPERHTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c1-13-10(16)5-2-3-6-7(4-5)9(12)15-14-8(6)11/h2-4H,1H3,(H,13,16).
What are the key properties of 1,4-dichloro-N-methylphthalazine-6-carboxamide?
1,4-dichloro-N-methylphthalazine-6-carboxamide has a molecular weight of 256.09 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-N-methylphthalazine-6-carboxamide is sourced from PubChem (CID 118460869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).