N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C19H18N6O — CID 91777982

IUPACN-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCc1cc2cc(CNC(=O)C(c3ccccc3)n3cnnn3)ccc2[nH]1
InChIInChI=1S/C19H18N6O/c1-13-9-16-10-14(7-8-17(16)22-13)11-20-19(26)18(25-12-21-23-24-25)15-5-3-2-4-6-15/h2-10,12,18,22H,11H2,1H3,(H,20,26)
InChIKeyFFLIWQDWGCXJPW-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.37
Rot. Bonds5

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

N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 91777982) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID91777982
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCc1cc2cc(CNC(=O)C(c3ccccc3)n3cnnn3)ccc2[nH]1
InChIInChI=1S/C19H18N6O/c1-13-9-16-10-14(7-8-17(16)22-13)11-20-19(26)18(25-12-21-23-24-25)15-5-3-2-4-6-15/h2-10,12,18,22H,11H2,1H3,(H,20,26)
InChIKeyFFLIWQDWGCXJPW-UHFFFAOYSA-N
XLogP2.37
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71828548
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91789332
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71828617
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 71829669
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 95394930
(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71829715
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
(E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide
CID 110425618
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71701108

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 91777982) is N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is Cc1cc2cc(CNC(=O)C(c3ccccc3)n3cnnn3)ccc2[nH]1.
What is the InChIKey of N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is FFLIWQDWGCXJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-9-16-10-14(7-8-17(16)22-13)11-20-19(26)18(25-12-21-23-24-25)15-5-3-2-4-6-15/h2-10,12,18,22H,11H2,1H3,(H,20,26).
What are the key properties of N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 91777982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).