1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea

C25H24FN3O2 — CID 143240744

IUPAC1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea
SMILESNc1ccccc1CCC(=O)c1ccc2c(c1)CCC2NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H24FN3O2/c26-19-8-10-20(11-9-19)28-25(31)29-23-13-6-17-15-18(5-12-21(17)23)24(30)14-7-16-3-1-2-4-22(16)27/h1-5,8-12,15,23H,6-7,13-14,27H2,(H2,28,29,31)
InChIKeyHFNMWWUXVZLZCR-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.03
Rot. Bonds6

About 1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea

1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea (PubChem CID 143240744) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea
PubChem CID143240744
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea
SMILESNc1ccccc1CCC(=O)c1ccc2c(c1)CCC2NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H24FN3O2/c26-19-8-10-20(11-9-19)28-25(31)29-23-13-6-17-15-18(5-12-21(17)23)24(30)14-7-16-3-1-2-4-22(16)27/h1-5,8-12,15,23H,6-7,13-14,27H2,(H2,28,29,31)
InChIKeyHFNMWWUXVZLZCR-UHFFFAOYSA-N
XLogP5.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea (CID 143240744) is 1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea is Nc1ccccc1CCC(=O)c1ccc2c(c1)CCC2NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea?
The InChIKey is HFNMWWUXVZLZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-19-8-10-20(11-9-19)28-25(31)29-23-13-6-17-15-18(5-12-21(17)23)24(30)14-7-16-3-1-2-4-22(16)27/h1-5,8-12,15,23H,6-7,13-14,27H2,(H2,28,29,31).
What are the key properties of 1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea?
1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea has a molecular weight of 417.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(2-aminophenyl)propanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 143240744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).