N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide

C21H22FN3O2 — CID 172895467

IUPACN-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide
SMILESCn1cc(CN2CCC2C(=O)Nc2cccc(F)c2CO)c2ccccc21
InChIInChI=1S/C21H22FN3O2/c1-24-11-14(15-5-2-3-8-19(15)24)12-25-10-9-20(25)21(27)23-18-7-4-6-17(22)16(18)13-26/h2-8,11,20,26H,9-10,12-13H2,1H3,(H,23,27)
InChIKeyJVSGQRWBCLIHKM-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.02
Rot. Bonds5

About N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide

N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide (PubChem CID 172895467) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide
PubChem CID172895467
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide
SMILESCn1cc(CN2CCC2C(=O)Nc2cccc(F)c2CO)c2ccccc21
InChIInChI=1S/C21H22FN3O2/c1-24-11-14(15-5-2-3-8-19(15)24)12-25-10-9-20(25)21(27)23-18-7-4-6-17(22)16(18)13-26/h2-8,11,20,26H,9-10,12-13H2,1H3,(H,23,27)
InChIKeyJVSGQRWBCLIHKM-UHFFFAOYSA-N
XLogP3.02
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide?
The IUPAC name of N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide (CID 172895467) is N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide is Cn1cc(CN2CCC2C(=O)Nc2cccc(F)c2CO)c2ccccc21.
What is the InChIKey of N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide?
The InChIKey is JVSGQRWBCLIHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-24-11-14(15-5-2-3-8-19(15)24)12-25-10-9-20(25)21(27)23-18-7-4-6-17(22)16(18)13-26/h2-8,11,20,26H,9-10,12-13H2,1H3,(H,23,27).
What are the key properties of N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide?
N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide is sourced from PubChem (CID 172895467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).