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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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).