[1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea

C23H30FN3O — CID 67665374

IUPAC[1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea
SMILESCCCN(CCC)CC1(NC(N)=O)CC(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C23H30FN3O/c1-3-13-27(14-4-2)16-23(26-22(25)28)15-20(17-9-11-18(24)12-10-17)19-7-5-6-8-21(19)23/h5-12,20H,3-4,13-16H2,1-2H3,(H3,25,26,28)
InChIKeyFNJJPVREBROLAY-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.35
Rot. Bonds8

About [1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea

[1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea (PubChem CID 67665374) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is [1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea.

Molecular Properties

Compound Name[1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea
PubChem CID67665374
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name[1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea
SMILESCCCN(CCC)CC1(NC(N)=O)CC(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C23H30FN3O/c1-3-13-27(14-4-2)16-23(26-22(25)28)15-20(17-9-11-18(24)12-10-17)19-7-5-6-8-21(19)23/h5-12,20H,3-4,13-16H2,1-2H3,(H3,25,26,28)
InChIKeyFNJJPVREBROLAY-UHFFFAOYSA-N
XLogP4.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea?
The IUPAC name of [1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea (CID 67665374) is [1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea.
What is the SMILES notation for [1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea?
The canonical SMILES for [1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea is CCCN(CCC)CC1(NC(N)=O)CC(c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of [1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea?
The InChIKey is FNJJPVREBROLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-3-13-27(14-4-2)16-23(26-22(25)28)15-20(17-9-11-18(24)12-10-17)19-7-5-6-8-21(19)23/h5-12,20H,3-4,13-16H2,1-2H3,(H3,25,26,28).
What are the key properties of [1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea?
[1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea has a molecular weight of 383.51 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea is sourced from PubChem (CID 67665374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).