1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea

C21H21FN4O2 — CID 71779567

IUPAC1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea
SMILESO=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)Nc1ccccc1F
InChIInChI=1S/C21H21FN4O2/c22-17-11-5-6-12-18(17)24-21(28)23-13-19-15-9-3-4-10-16(15)20(27)26(25-19)14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8,13H2,(H2,23,24,28)
InChIKeyRFEGLRBFAUXWAZ-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.97
Rot. Bonds4

About 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea

1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea (PubChem CID 71779567) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea
PubChem CID71779567
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea
SMILESO=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)Nc1ccccc1F
InChIInChI=1S/C21H21FN4O2/c22-17-11-5-6-12-18(17)24-21(28)23-13-19-15-9-3-4-10-16(15)20(27)26(25-19)14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8,13H2,(H2,23,24,28)
InChIKeyRFEGLRBFAUXWAZ-UHFFFAOYSA-N
XLogP3.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 970816
N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
4-(anilinomethyl)-1(2H)-phthalazinone
CID 1482294
1-(3,3-Dimethylbutyl)-3-[2-fluoro-4-methyl-5-(2-methyl-1-oxophthalazin-6-yl)phenyl]urea
CID 162661734
3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
CID 2714733
3-benzyl-N-methyl-4-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]phthalazine-1-carboxamide
CID 4784122
2-(4-Methyl-1-oxo-1H-phthalazin-2-yl)-N-o-tolyl-acetamide
CID 745849
N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 1306519
N-(4-fluorophenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1999173
N-Indan-5-yl-2-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetamide
CID 652384
N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide
CID 25003291

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea (CID 71779567) is 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea is O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)Nc1ccccc1F.
What is the InChIKey of 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea?
The InChIKey is RFEGLRBFAUXWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-11-5-6-12-18(17)24-21(28)23-13-19-15-9-3-4-10-16(15)20(27)26(25-19)14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8,13H2,(H2,23,24,28).
What are the key properties of 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea?
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea has a molecular weight of 380.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 71779567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).