N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide

C20H19ClN6O — CID 70739300

IUPACN-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1c(-c2ccccc2)[nH]c2c(CNC(=O)CCn3cnnn3)cc(Cl)cc12
InChIInChI=1S/C20H19ClN6O/c1-13-17-10-16(21)9-15(11-22-18(28)7-8-27-12-23-25-26-27)20(17)24-19(13)14-5-3-2-4-6-14/h2-6,9-10,12,24H,7-8,11H2,1H3,(H,22,28)
InChIKeyJHQLWBHDXDORBM-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.49
Rot. Bonds6

About N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide

N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 70739300) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide
PubChem CID70739300
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC NameN-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1c(-c2ccccc2)[nH]c2c(CNC(=O)CCn3cnnn3)cc(Cl)cc12
InChIInChI=1S/C20H19ClN6O/c1-13-17-10-16(21)9-15(11-22-18(28)7-8-27-12-23-25-26-27)20(17)24-19(13)14-5-3-2-4-6-14/h2-6,9-10,12,24H,7-8,11H2,1H3,(H,22,28)
InChIKeyJHQLWBHDXDORBM-UHFFFAOYSA-N
XLogP3.49
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide (CID 70739300) is N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide is Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)CCn3cnnn3)cc(Cl)cc12.
What is the InChIKey of N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is JHQLWBHDXDORBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-13-17-10-16(21)9-15(11-22-18(28)7-8-27-12-23-25-26-27)20(17)24-19(13)14-5-3-2-4-6-14/h2-6,9-10,12,24H,7-8,11H2,1H3,(H,22,28).
What are the key properties of N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide?
N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 394.87 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 70739300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).