N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide

C21H21FN6O — CID 92626130

IUPACN-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESC[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C21H21FN6O/c1-14(9-17-12-27(2)20-8-7-18(22)10-19(17)20)24-21(29)16-5-3-15(4-6-16)11-28-13-23-25-26-28/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,29)/t14-/m0/s1
InChIKeyZLTRQMMOVWFUQB-AWEZNQCLSA-N
MW392.44 g/mol
LogP2.71
Rot. Bonds6

About N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide

N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 92626130) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID92626130
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC NameN-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESC[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C21H21FN6O/c1-14(9-17-12-27(2)20-8-7-18(22)10-19(17)20)24-21(29)16-5-3-15(4-6-16)11-28-13-23-25-26-28/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,29)/t14-/m0/s1
InChIKeyZLTRQMMOVWFUQB-AWEZNQCLSA-N
XLogP2.71
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide
CID 146094497
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide
CID 167819442
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 92613685
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 100906614
N-[(2R)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
CID 94197438
N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
CID 94197439
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 125438716
6-methoxy-N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 92628434
N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74239494
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46978008
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide
CID 92625926
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide
CID 46974701

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide (CID 92626130) is N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide is C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is ZLTRQMMOVWFUQB-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-14(9-17-12-27(2)20-8-7-18(22)10-19(17)20)24-21(29)16-5-3-15(4-6-16)11-28-13-23-25-26-28/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,29)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide?
N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 392.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 92626130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).