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

C23H21FN2O2 — CID 146394912

IUPAC4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(-c3ccc(CO)cc3)c1)C2
InChIInChI=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)
InChIKeyDZPHIWULQKJKPL-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.27
Rot. Bonds4

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 Name4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394912
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(-c3ccc(CO)cc3)c1)C2
InChIInChI=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)
InChIKeyDZPHIWULQKJKPL-UHFFFAOYSA-N
XLogP4.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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).