4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C23H21FN2O2 — CID 146394912

About 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394912) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
• PubChem CID: 146394912
• Molecular Formula: C23H21FN2O2
• Molecular Weight: 376.43 g/mol
• Exact Mass: 376.16
• IUPAC Name: 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
• SMILES: Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(-c3ccc(CO)cc3)c1)C2
• InChI: InChI=1S/C23H21FN2O2/c1-14-5-10-20(24)19-12-21(26-22(14)19)23(28)25-18-4-2-3-17(11-18)16-8-6-15(13-27)7-9-16/h2-11,21,26-27H,12-13H2,1H3,(H,25,28)
• InChIKey: DZPHIWULQKJKPL-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 61.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.43
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The IUPAC name of 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146394912) is 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

What is the SMILES notation for 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The canonical SMILES for 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(-c3ccc(CO)cc3)c1)C2.

What is the InChIKey of 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The InChIKey is DZPHIWULQKJKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-14-5-10-20(24)19-12-21(26-22(14)19)23(28)25-18-4-2-3-17(11-18)16-8-6-15(13-27)7-9-16/h2-11,21,26-27H,12-13H2,1H3,(H,25,28).

What are the key properties of 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).