2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C19H18N6O2 — CID 1454693

IUPAC2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1nnc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C19H18N6O2/c1-27-17-9-5-2-6-13(17)10-21-18(26)12-25-23-19(22-24-25)15-11-20-16-8-4-3-7-14(15)16/h2-9,11,20H,10,12H2,1H3,(H,21,26)
InChIKeyQHNVRQQWDHLNNH-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.15
Rot. Bonds6

About 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 1454693) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID1454693
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1nnc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C19H18N6O2/c1-27-17-9-5-2-6-13(17)10-21-18(26)12-25-23-19(22-24-25)15-11-20-16-8-4-3-7-14(15)16/h2-9,11,20H,10,12H2,1H3,(H,21,26)
InChIKeyQHNVRQQWDHLNNH-UHFFFAOYSA-N
XLogP2.15
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 7963815
N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 644968
N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide
CID 1454689
2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide
CID 137219877
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 51284749
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2127162
N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110357480
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
CID 20916512
N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 2990806
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 1454693) is 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cn1nnc(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is QHNVRQQWDHLNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-27-17-9-5-2-6-13(17)10-21-18(26)12-25-23-19(22-24-25)15-11-20-16-8-4-3-7-14(15)16/h2-9,11,20H,10,12H2,1H3,(H,21,26).
What are the key properties of 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 1454693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).