3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide

C17H14ClN3O2 — CID 2805926

IUPAC3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide
SMILESCN(C)C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
InChIInChI=1S/C17H14ClN3O2/c1-20(2)17(23)15-13-5-3-4-6-14(13)16(22)21(19-15)12-9-7-11(18)8-10-12/h3-10H,1-2H3
InChIKeyJVSDRXNDIGNRCF-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.74
Rot. Bonds2

About 3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide

3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide (PubChem CID 2805926) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide
PubChem CID2805926
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide
SMILESCN(C)C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
InChIInChI=1S/C17H14ClN3O2/c1-20(2)17(23)15-13-5-3-4-6-14(13)16(22)21(19-15)12-9-7-11(18)8-10-12/h3-10H,1-2H3
InChIKeyJVSDRXNDIGNRCF-UHFFFAOYSA-N
XLogP2.74
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide (CID 2805926) is 3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide is CN(C)C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide?
The InChIKey is JVSDRXNDIGNRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-20(2)17(23)15-13-5-3-4-6-14(13)16(22)21(19-15)12-9-7-11(18)8-10-12/h3-10H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide?
3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2805926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).