N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C18H16ClN3O3 — CID 71552169

IUPACN-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1Cl
InChIInChI=1S/C18H16ClN3O3/c1-22-18(24)13-6-4-3-5-12(13)15(21-22)10-17(23)20-11-7-8-14(19)16(9-11)25-2/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyQPMLJENOPRBTQL-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.78
Rot. Bonds4

About N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 71552169) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID71552169
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1Cl
InChIInChI=1S/C18H16ClN3O3/c1-22-18(24)13-6-4-3-5-12(13)15(21-22)10-17(23)20-11-7-8-14(19)16(9-11)25-2/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyQPMLJENOPRBTQL-UHFFFAOYSA-N
XLogP2.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)-N-(4-methoxyphenyl)propanamide
CID 1887235
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 3238487
N-[3-(diethylamino)propyl]-3-(3-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 3240139
N-[3-(dipropylamino)propyl]-3-(3-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 4090835
2-{[3-(3-Chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-(propan-2-YL)acetamide
CID 16001835
2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N,N-diethylacetamide
CID 16002109
3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide
CID 22330717
2-{[3-(3-Chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-(3-methoxypropyl)acetamide
CID 22334083
N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-cyclopropyl-4-oxophthalazin-1-yl)acetamide
CID 166626384
N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide
CID 166628099
3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide
CID 168277807

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 71552169) is N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is COc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is QPMLJENOPRBTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-22-18(24)13-6-4-3-5-12(13)15(21-22)10-17(23)20-11-7-8-14(19)16(9-11)25-2/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 71552169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).