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

C18H16ClN3O2 — CID 71552094

IUPACN-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-11-9-12(7-8-15(11)19)20-17(23)10-16-13-5-3-4-6-14(13)18(24)22(2)21-16/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyJPTUPRPBQCUKMJ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.08
Rot. Bonds3

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

N-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 71552094) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID71552094
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-11-9-12(7-8-15(11)19)20-17(23)10-16-13-5-3-4-6-14(13)18(24)22(2)21-16/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyJPTUPRPBQCUKMJ-UHFFFAOYSA-N
XLogP3.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 970816
4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone
CID 371946
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
2-(3,4-Dichloro-phenyl)-4-methyl-2H-phthalazin-1-one
CID 627678
2-(4-Methyl-1-oxo-1H-phthalazin-2-yl)-N-o-tolyl-acetamide
CID 745849
N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
CID 1122988
N-{3-[N-(3-chlorobenzoyl)ethanehydrazonoyl]phenyl}-2-methylpropanamide
CID 9617701
2-(4-Chlorophenyl)-1-phthalazinone
CID 519224
N-Indan-5-yl-2-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetamide
CID 652384
N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 718212
N-(3,4-dichlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 2991140
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 4844498

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 71552094) is N-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is JPTUPRPBQCUKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-9-12(7-8-15(11)19)20-17(23)10-16-13-5-3-4-6-14(13)18(24)22(2)21-16/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 71552094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).