N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide

C19H17ClN6O2 — CID 67552525

IUPACN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)Nc2ccc(Cl)cc2-c2nn[nH]n2)cc2ccccc21
InChIInChI=1S/C19H17ClN6O2/c1-28-9-8-26-16-5-3-2-4-12(16)10-17(26)19(27)21-15-7-6-13(20)11-14(15)18-22-24-25-23-18/h2-7,10-11H,8-9H2,1H3,(H,21,27)(H,22,23,24,25)
InChIKeyXCDHHCFVEOVMAT-UHFFFAOYSA-N
MW396.84 g/mol
LogP3.37
Rot. Bonds6

About N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide

N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide (PubChem CID 67552525) has the molecular formula C19H17ClN6O2 and a molecular weight of 396.84 g/mol. Its IUPAC name is N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide
PubChem CID67552525
Molecular FormulaC19H17ClN6O2
Molecular Weight396.84 g/mol
Exact Mass396.11
IUPAC NameN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)Nc2ccc(Cl)cc2-c2nn[nH]n2)cc2ccccc21
InChIInChI=1S/C19H17ClN6O2/c1-28-9-8-26-16-5-3-2-4-12(16)10-17(26)19(27)21-15-7-6-13(20)11-14(15)18-22-24-25-23-18/h2-7,10-11H,8-9H2,1H3,(H,21,27)(H,22,23,24,25)
InChIKeyXCDHHCFVEOVMAT-UHFFFAOYSA-N
XLogP3.37
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-pentylindole-2-carboxamide
CID 67551620
N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71701813
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-phenylindole-2-carboxamide
CID 67552441
N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71702187
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide
CID 67552374
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 67551733
5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide
CID 71706250
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide
CID 42630773
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
CID 71700512
N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide
CID 67552696
N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide
CID 56581495
1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide
CID 71704732

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide (CID 67552525) is N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide is COCCn1c(C(=O)Nc2ccc(Cl)cc2-c2nn[nH]n2)cc2ccccc21.
What is the InChIKey of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide?
The InChIKey is XCDHHCFVEOVMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2/c1-28-9-8-26-16-5-3-2-4-12(16)10-17(26)19(27)21-15-7-6-13(20)11-14(15)18-22-24-25-23-18/h2-7,10-11H,8-9H2,1H3,(H,21,27)(H,22,23,24,25).
What are the key properties of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide?
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide has a molecular weight of 396.84 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide is sourced from PubChem (CID 67552525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).