N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide

C19H16ClN7O2 — CID 67552374

IUPACN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide
SMILESCCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3nn[nH]n3)[nH]c12
InChIInChI=1S/C19H16ClN7O2/c1-2-16(28)21-14-5-3-4-10-8-15(22-17(10)14)19(29)23-13-7-6-11(20)9-12(13)18-24-26-27-25-18/h3-9,22H,2H2,1H3,(H,21,28)(H,23,29)(H,24,25,26,27)
InChIKeyCVTUHYUQFRXFBK-UHFFFAOYSA-N
MW409.84 g/mol
LogP3.60
Rot. Bonds5

About N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide

N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide (PubChem CID 67552374) has the molecular formula C19H16ClN7O2 and a molecular weight of 409.84 g/mol. Its IUPAC name is N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide
PubChem CID67552374
Molecular FormulaC19H16ClN7O2
Molecular Weight409.84 g/mol
Exact Mass409.11
IUPAC NameN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide
SMILESCCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3nn[nH]n3)[nH]c12
InChIInChI=1S/C19H16ClN7O2/c1-2-16(28)21-14-5-3-4-10-8-15(22-17(10)14)19(29)23-13-7-6-11(20)9-12(13)18-24-26-27-25-18/h3-9,22H,2H2,1H3,(H,21,28)(H,23,29)(H,24,25,26,27)
InChIKeyCVTUHYUQFRXFBK-UHFFFAOYSA-N
XLogP3.60
TPSA128.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.84
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide (CID 67552374) is N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide is CCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3nn[nH]n3)[nH]c12.
What is the InChIKey of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide?
The InChIKey is CVTUHYUQFRXFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7O2/c1-2-16(28)21-14-5-3-4-10-8-15(22-17(10)14)19(29)23-13-7-6-11(20)9-12(13)18-24-26-27-25-18/h3-9,22H,2H2,1H3,(H,21,28)(H,23,29)(H,24,25,26,27).
What are the key properties of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide?
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide has a molecular weight of 409.84 g/mol, XLogP of 3.60, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide is sourced from PubChem (CID 67552374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).