3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide

C16H21FN2O2 — CID 171518789

IUPAC3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide
SMILESCc1cc2cc(CNC(=O)C(O)CF)[nH]c2cc1C(C)C
InChIInChI=1S/C16H21FN2O2/c1-9(2)13-6-14-11(4-10(13)3)5-12(19-14)8-18-16(21)15(20)7-17/h4-6,9,15,19-20H,7-8H2,1-3H3,(H,18,21)
InChIKeyPTGVZBNHKQALHO-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.55
Rot. Bonds5

About 3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide

3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide (PubChem CID 171518789) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide
PubChem CID171518789
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide
SMILESCc1cc2cc(CNC(=O)C(O)CF)[nH]c2cc1C(C)C
InChIInChI=1S/C16H21FN2O2/c1-9(2)13-6-14-11(4-10(13)3)5-12(19-14)8-18-16(21)15(20)7-17/h4-6,9,15,19-20H,7-8H2,1-3H3,(H,18,21)
InChIKeyPTGVZBNHKQALHO-UHFFFAOYSA-N
XLogP2.55
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide?
The IUPAC name of 3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide (CID 171518789) is 3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide?
The canonical SMILES for 3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide is Cc1cc2cc(CNC(=O)C(O)CF)[nH]c2cc1C(C)C.
What is the InChIKey of 3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide?
The InChIKey is PTGVZBNHKQALHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-9(2)13-6-14-11(4-10(13)3)5-12(19-14)8-18-16(21)15(20)7-17/h4-6,9,15,19-20H,7-8H2,1-3H3,(H,18,21).
What are the key properties of 3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide?
3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide has a molecular weight of 292.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide is sourced from PubChem (CID 171518789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).