1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea

C25H20F2N4O2 — CID 164916035

IUPAC1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea
SMILESN#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C25H20F2N4O2/c26-19-7-9-21(10-8-19)29-25(33)30-22(13-16-1-3-17(15-28)4-2-16)24(32)31-12-11-18-5-6-20(27)14-23(18)31/h1-10,14,22H,11-13H2,(H2,29,30,33)/t22-/m0/s1
InChIKeyZGAJUIGSHSAQMZ-QFIPXVFZSA-N
MW446.46 g/mol
LogP4.16
Rot. Bonds5

About 1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea

1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea (PubChem CID 164916035) has the molecular formula C25H20F2N4O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is 1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea
PubChem CID164916035
Molecular FormulaC25H20F2N4O2
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea
SMILESN#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C25H20F2N4O2/c26-19-7-9-21(10-8-19)29-25(33)30-22(13-16-1-3-17(15-28)4-2-16)24(32)31-12-11-18-5-6-20(27)14-23(18)31/h1-10,14,22H,11-13H2,(H2,29,30,33)/t22-/m0/s1
InChIKeyZGAJUIGSHSAQMZ-QFIPXVFZSA-N
XLogP4.16
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-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

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea (CID 164916035) is 1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea is N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc32)cc1.
What is the InChIKey of 1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea?
The InChIKey is ZGAJUIGSHSAQMZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H20F2N4O2/c26-19-7-9-21(10-8-19)29-25(33)30-22(13-16-1-3-17(15-28)4-2-16)24(32)31-12-11-18-5-6-20(27)14-23(18)31/h1-10,14,22H,11-13H2,(H2,29,30,33)/t22-/m0/s1.
What are the key properties of 1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea?
1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea has a molecular weight of 446.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 164916035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).