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

C15H17ClN6O — CID 99702664

IUPAC2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
SMILESC[C@H](CN(C)C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1nn[nH]n1
InChIInChI=1S/C15H17ClN6O/c1-9(15-18-20-21-19-15)8-22(2)14(23)5-10-7-17-13-4-3-11(16)6-12(10)13/h3-4,6-7,9,17H,5,8H2,1-2H3,(H,18,19,20,21)/t9-/m1/s1
InChIKeyJNRPMTLREQOKAP-SECBINFHSA-N
MW332.80 g/mol
LogP2.14
Rot. Bonds5

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

2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide (PubChem CID 99702664) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
PubChem CID99702664
Molecular FormulaC15H17ClN6O
Molecular Weight332.80 g/mol
Exact Mass332.12
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
SMILESC[C@H](CN(C)C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1nn[nH]n1
InChIInChI=1S/C15H17ClN6O/c1-9(15-18-20-21-19-15)8-22(2)14(23)5-10-7-17-13-4-3-11(16)6-12(10)13/h3-4,6-7,9,17H,5,8H2,1-2H3,(H,18,19,20,21)/t9-/m1/s1
InChIKeyJNRPMTLREQOKAP-SECBINFHSA-N
XLogP2.14
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide (CID 99702664) is 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide is C[C@H](CN(C)C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1nn[nH]n1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide?
The InChIKey is JNRPMTLREQOKAP-SECBINFHSA-N. The full InChI is InChI=1S/C15H17ClN6O/c1-9(15-18-20-21-19-15)8-22(2)14(23)5-10-7-17-13-4-3-11(16)6-12(10)13/h3-4,6-7,9,17H,5,8H2,1-2H3,(H,18,19,20,21)/t9-/m1/s1.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide?
2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide has a molecular weight of 332.80 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide is sourced from PubChem (CID 99702664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).