N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide

C26H20F2N4O3 — CID 33099057

IUPACN-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide
SMILESO=C(Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C26H20F2N4O3/c27-21-11-8-15(13-22(21)28)24-19-6-1-2-7-20(19)26(35)32(31-24)14-23(33)29-18-5-3-4-16(12-18)25(34)30-17-9-10-17/h1-8,11-13,17H,9-10,14H2,(H,29,33)(H,30,34)
InChIKeyRAEQAWYHBMGENI-UHFFFAOYSA-N
MW474.47 g/mol
LogP3.87
Rot. Bonds6

About N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide

N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide (PubChem CID 33099057) has the molecular formula C26H20F2N4O3 and a molecular weight of 474.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide
PubChem CID33099057
Molecular FormulaC26H20F2N4O3
Molecular Weight474.47 g/mol
Exact Mass474.15
IUPAC NameN-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide
SMILESO=C(Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C26H20F2N4O3/c27-21-11-8-15(13-22(21)28)24-19-6-1-2-7-20(19)26(35)32(31-24)14-23(33)29-18-5-3-4-16(12-18)25(34)30-17-9-10-17/h1-8,11-13,17H,9-10,14H2,(H,29,33)(H,30,34)
InChIKeyRAEQAWYHBMGENI-UHFFFAOYSA-N
XLogP3.87
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
N-(3-chlorophenyl)-2-[4-(3-nitrophenyl)-1-oxophthalazin-2-yl]acetamide
CID 1422902
N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 30704619
N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 55574362
N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
CID 1419297
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
3-[[2-[4-[[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]methyl]phenyl]-2-cyclopentylacetyl]amino]benzoic acid
CID 58136730
N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 3911125
4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one
CID 78881007
N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 36707078
N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide (CID 33099057) is N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide is O=C(Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide?
The InChIKey is RAEQAWYHBMGENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4O3/c27-21-11-8-15(13-22(21)28)24-19-6-1-2-7-20(19)26(35)32(31-24)14-23(33)29-18-5-3-4-16(12-18)25(34)30-17-9-10-17/h1-8,11-13,17H,9-10,14H2,(H,29,33)(H,30,34).
What are the key properties of N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide has a molecular weight of 474.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide is sourced from PubChem (CID 33099057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).