N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide

C18H18N6O — CID 99210544

IUPACN-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCc2ccccc21)c1nnnn1-c1ccccc1
InChIInChI=1S/C18H18N6O/c1-13(17-20-21-22-24(17)15-8-3-2-4-9-15)19-18(25)23-12-11-14-7-5-6-10-16(14)23/h2-10,13H,11-12H2,1H3,(H,19,25)/t13-/m1/s1
InChIKeyKPSZHLINRRSXDT-CYBMUJFWSA-N
MW334.38 g/mol
LogP2.50
Rot. Bonds3

About N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide

N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 99210544) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide
PubChem CID99210544
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCc2ccccc21)c1nnnn1-c1ccccc1
InChIInChI=1S/C18H18N6O/c1-13(17-20-21-22-24(17)15-8-3-2-4-9-15)19-18(25)23-12-11-14-7-5-6-10-16(14)23/h2-10,13H,11-12H2,1H3,(H,19,25)/t13-/m1/s1
InChIKeyKPSZHLINRRSXDT-CYBMUJFWSA-N
XLogP2.50
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 53498267
(3aS,7aS)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 96518819
N-[1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71869849
(2S,3R)-2-(2,3-dihydroindole-1-carbonylamino)-3-methylpentanoic acid
CID 41129473
1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 23917352
(2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120793976
(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide
CID 95628473
2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone
CID 167985381
(2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 7561571
1-(2,3-dihydroindol-1-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone
CID 56808144
1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone
CID 95571892
1-(2,3-dihydroindol-1-yl)-2-[(S)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone
CID 95571893

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide (CID 99210544) is N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide is C[C@@H](NC(=O)N1CCc2ccccc21)c1nnnn1-c1ccccc1.
What is the InChIKey of N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is KPSZHLINRRSXDT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N6O/c1-13(17-20-21-22-24(17)15-8-3-2-4-9-15)19-18(25)23-12-11-14-7-5-6-10-16(14)23/h2-10,13H,11-12H2,1H3,(H,19,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide?
N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 99210544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).