1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea

C19H21FN4O2 — CID 42156451

IUPAC1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
SMILESO=C(NCC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccccc1
InChIInChI=1S/C19H21FN4O2/c20-16-8-4-5-9-17(16)23-10-12-24(13-11-23)18(25)14-21-19(26)22-15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,21,22,26)
InChIKeyRIRVZJWJNOJMFE-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.30
Rot. Bonds4

About 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea

1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea (PubChem CID 42156451) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
PubChem CID42156451
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
SMILESO=C(NCC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccccc1
InChIInChI=1S/C19H21FN4O2/c20-16-8-4-5-9-17(16)23-10-12-24(13-11-23)18(25)14-21-19(26)22-15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,21,22,26)
InChIKeyRIRVZJWJNOJMFE-UHFFFAOYSA-N
XLogP2.30
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea 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

1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748952
2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 6460181
2-(3,5-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004433
2-(3,5-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004494
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone
CID 109004504
2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826997
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137
2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004436
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004455

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea (CID 42156451) is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea is O=C(NCC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccccc1.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea?
The InChIKey is RIRVZJWJNOJMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-16-8-4-5-9-17(16)23-10-12-24(13-11-23)18(25)14-21-19(26)22-15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,21,22,26).
What are the key properties of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea?
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea has a molecular weight of 356.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea is sourced from PubChem (CID 42156451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).