(4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate

C30H24F3N3O3 — CID 59943844

About (4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate

(4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate (PubChem CID 59943844) has the molecular formula C30H24F3N3O3 and a molecular weight of 531.53 g/mol. Its IUPAC name is (4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate.

Molecular Properties

• Compound Name: (4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate
• PubChem CID: 59943844
• Molecular Formula: C30H24F3N3O3
• Molecular Weight: 531.53 g/mol
• Exact Mass: 531.18
• IUPAC Name: (4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate
• SMILES: CC(F)(F)c1ccc(-c2ncccc2C(=O)Nc2ccc3c(c2)CC(NC(=O)Oc2ccc(F)cc2)C3)cc1
• InChI: InChI=1S/C30H24F3N3O3/c1-30(32,33)21-7-4-18(5-8-21)27-26(3-2-14-34-27)28(37)35-23-11-6-19-15-24(17-20(19)16-23)36-29(38)39-25-12-9-22(31)10-13-25/h2-14,16,24H,15,17H2,1H3,(H,35,37)(H,36,38)
• InChIKey: FHJUKEDUWLOYPO-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.53
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate?

The IUPAC name of (4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate (CID 59943844) is (4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate.

What is the SMILES notation for (4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate?

The canonical SMILES for (4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate is CC(F)(F)c1ccc(-c2ncccc2C(=O)Nc2ccc3c(c2)CC(NC(=O)Oc2ccc(F)cc2)C3)cc1.

What is the InChIKey of (4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate?

The InChIKey is FHJUKEDUWLOYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N3O3/c1-30(32,33)21-7-4-18(5-8-21)27-26(3-2-14-34-27)28(37)35-23-11-6-19-15-24(17-20(19)16-23)36-29(38)39-25-12-9-22(31)10-13-25/h2-14,16,24H,15,17H2,1H3,(H,35,37)(H,36,38).

What are the key properties of (4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate?

(4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate has a molecular weight of 531.53 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluorophenyl) N-[5-[[2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate is sourced from PubChem (CID 59943844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).