N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide

C24H18ClN3O2 — CID 71580199

IUPACN-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide
SMILESO=C(Cc1ccccc1)N(C(=O)Cc1ccccc1)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C24H18ClN3O2/c25-23-19-13-7-8-14-20(19)24(27-26-23)28(21(29)15-17-9-3-1-4-10-17)22(30)16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyQBWNEDQBURXQGV-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.63
Rot. Bonds5

About N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide

N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide (PubChem CID 71580199) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide
PubChem CID71580199
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC NameN-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide
SMILESO=C(Cc1ccccc1)N(C(=O)Cc1ccccc1)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C24H18ClN3O2/c25-23-19-13-7-8-14-20(19)24(27-26-23)28(21(29)15-17-9-3-1-4-10-17)22(30)16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyQBWNEDQBURXQGV-UHFFFAOYSA-N
XLogP4.63
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide
CID 154873539
N-(4-chlorophthalazin-1-yl)-N-hexanoylhexanamide
CID 71580198
N-(4-chlorophthalazin-1-yl)-2-phenylacetamide
CID 71580200
(R)-(4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl)(4,4-difluorocyclohexyl)methanone
CID 57581526
[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone
CID 57581530
[(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone
CID 57581548
[(3R)-4-(4-chloro-7-fluorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone
CID 57581551
[(3R)-4-(4-chloro-6-fluorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone
CID 57581560
N-(1-(4-chlorophthalazin-1-yl)piperidin-4-yl)-N-methyl-2-(trifluoromethyl) benzamide
CID 58157134
[4-(4-Chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 76610690
[4-(4-Chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone
CID 76610691
[4-(4-Chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone
CID 76610693

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide?
The IUPAC name of N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide (CID 71580199) is N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide.
What is the SMILES notation for N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide?
The canonical SMILES for N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide is O=C(Cc1ccccc1)N(C(=O)Cc1ccccc1)c1nnc(Cl)c2ccccc12.
What is the InChIKey of N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide?
The InChIKey is QBWNEDQBURXQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c25-23-19-13-7-8-14-20(19)24(27-26-23)28(21(29)15-17-9-3-1-4-10-17)22(30)16-18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide?
N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide has a molecular weight of 415.88 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide is sourced from PubChem (CID 71580199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).