3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide

C21H14ClN3O2 — CID 2805931

IUPAC3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
InChIInChI=1S/C21H14ClN3O2/c22-14-10-12-16(13-11-14)25-21(27)18-9-5-4-8-17(18)19(24-25)20(26)23-15-6-2-1-3-7-15/h1-13H,(H,23,26)
InChIKeyTYFUQIXIKLWTLO-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.29
Rot. Bonds3

About 3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide

3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide (PubChem CID 2805931) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
PubChem CID2805931
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
InChIInChI=1S/C21H14ClN3O2/c22-14-10-12-16(13-11-14)25-21(27)18-9-5-4-8-17(18)19(24-25)20(26)23-15-6-2-1-3-7-15/h1-13H,(H,23,26)
InChIKeyTYFUQIXIKLWTLO-UHFFFAOYSA-N
XLogP4.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
N-(4-iodophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4811491
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2086576
N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 20970771
3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide
CID 2805926
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide
CID 4020636
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
4-oxo-3-phenyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]phthalazine-1-carboxamide
CID 46582621
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 44773550

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide (CID 2805931) is 3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide is O=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide?
The InChIKey is TYFUQIXIKLWTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-14-10-12-16(13-11-14)25-21(27)18-9-5-4-8-17(18)19(24-25)20(26)23-15-6-2-1-3-7-15/h1-13H,(H,23,26).
What are the key properties of 3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide?
3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide has a molecular weight of 375.82 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 2805931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).