N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide

C22H16ClN3O3 — CID 60552718

IUPACN-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C22H16ClN3O3/c23-19-8-4-1-5-14(19)13-29-16-11-9-15(10-12-16)24-22(28)20-17-6-2-3-7-18(17)21(27)26-25-20/h1-12H,13H2,(H,24,28)(H,26,27)
InChIKeyOJCRAPODKSRIPD-UHFFFAOYSA-N
MW405.84 g/mol
LogP4.41
Rot. Bonds5

About N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 60552718) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID60552718
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC NameN-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C22H16ClN3O3/c23-19-8-4-1-5-14(19)13-29-16-11-9-15(10-12-16)24-22(28)20-17-6-2-3-7-18(17)21(27)26-25-20/h1-12H,13H2,(H,24,28)(H,26,27)
InChIKeyOJCRAPODKSRIPD-UHFFFAOYSA-N
XLogP4.41
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide
CID 2297606
4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide
CID 2103773
4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide
CID 60517905
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60552604
4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 6462000
4-acetyl-N-[4-[(2-chlorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 60552744
N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 60968085

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 60552718) is N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide is O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is OJCRAPODKSRIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c23-19-8-4-1-5-14(19)13-29-16-11-9-15(10-12-16)24-22(28)20-17-6-2-3-7-18(17)21(27)26-25-20/h1-12H,13H2,(H,24,28)(H,26,27).
What are the key properties of N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 60552718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).