3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide

C23H18ClN3O2 — CID 69161007

IUPAC3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide
SMILESCN(C)C(=O)c1cccc(Cl)c1-n1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C23H18ClN3O2/c1-26(2)22(28)18-13-8-14-19(24)21(18)27-23(29)17-12-7-6-11-16(17)20(25-27)15-9-4-3-5-10-15/h3-14H,1-2H3
InChIKeySGUOVIDZRUGCHF-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.41
Rot. Bonds3

About 3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide

3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide (PubChem CID 69161007) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide
PubChem CID69161007
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide
SMILESCN(C)C(=O)c1cccc(Cl)c1-n1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C23H18ClN3O2/c1-26(2)22(28)18-13-8-14-19(24)21(18)27-23(29)17-12-7-6-11-16(17)20(25-27)15-9-4-3-5-10-15/h3-14H,1-2H3
InChIKeySGUOVIDZRUGCHF-UHFFFAOYSA-N
XLogP4.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide?
The IUPAC name of 3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide (CID 69161007) is 3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide?
The canonical SMILES for 3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide is CN(C)C(=O)c1cccc(Cl)c1-n1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide?
The InChIKey is SGUOVIDZRUGCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-26(2)22(28)18-13-8-14-19(24)21(18)27-23(29)17-12-7-6-11-16(17)20(25-27)15-9-4-3-5-10-15/h3-14H,1-2H3.
What are the key properties of 3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide?
3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide has a molecular weight of 403.87 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-2-(1-oxo-4-phenylphthalazin-2-yl)benzamide is sourced from PubChem (CID 69161007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).