(5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone

C19H16ClFN4O — CID 78899109

IUPAC(5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C19H16ClFN4O/c20-14-5-6-17(21)16(11-14)19(26)25-9-7-24(8-10-25)18-15-4-2-1-3-13(15)12-22-23-18/h1-6,11-12H,7-10H2
InChIKeyHHHFOBRIJKEBIV-UHFFFAOYSA-N
MW370.82 g/mol
LogP3.38
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone

(5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone (PubChem CID 78899109) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
PubChem CID78899109
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name(5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C19H16ClFN4O/c20-14-5-6-17(21)16(11-14)19(26)25-9-7-24(8-10-25)18-15-4-2-1-3-13(15)12-22-23-18/h1-6,11-12H,7-10H2
InChIKeyHHHFOBRIJKEBIV-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71986226
(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71986216
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71998367
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 55724132
(5-chloro-2-fluorophenyl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56527948
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
N-tert-butyl-4-phthalazin-1-ylpiperazine-1-carboxamide
CID 110747634
methyl 4-oxo-4-(4-phthalazin-1-ylpiperazin-1-yl)butanoate
CID 110715617
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615888
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
1-(4-chloropiperidin-1-yl)phthalazine
CID 63388772

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone (CID 78899109) is (5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone is O=C(c1cc(Cl)ccc1F)N1CCN(c2nncc3ccccc23)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone?
The InChIKey is HHHFOBRIJKEBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c20-14-5-6-17(21)16(11-14)19(26)25-9-7-24(8-10-25)18-15-4-2-1-3-13(15)12-22-23-18/h1-6,11-12H,7-10H2.
What are the key properties of (5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone?
(5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone has a molecular weight of 370.82 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 78899109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).