N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide

C20H19FN6O — CID 91777848

IUPACN-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C20H19FN6O/c1-26(12-17-11-15-10-16(21)7-8-18(15)23-17)20(28)19(27-13-22-24-25-27)9-14-5-3-2-4-6-14/h2-8,10-11,13,19,23H,9,12H2,1H3
InChIKeyINECYNYEVKIXPC-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.74
Rot. Bonds6

About N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide

N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 91777848) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID91777848
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC NameN-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C20H19FN6O/c1-26(12-17-11-15-10-16(21)7-8-18(15)23-17)20(28)19(27-13-22-24-25-27)9-14-5-3-2-4-6-14/h2-8,10-11,13,19,23H,9,12H2,1H3
InChIKeyINECYNYEVKIXPC-UHFFFAOYSA-N
XLogP2.74
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 91777848) is N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is INECYNYEVKIXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-26(12-17-11-15-10-16(21)7-8-18(15)23-17)20(28)19(27-13-22-24-25-27)9-14-5-3-2-4-6-14/h2-8,10-11,13,19,23H,9,12H2,1H3.
What are the key properties of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 378.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 91777848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).