(2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide

C21H19ClN6O — CID 132992834

IUPAC(2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NC1CCCc2c1[nH]c1c(Cl)cccc21)[C@@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C21H19ClN6O/c22-16-10-4-8-14-15-9-5-11-17(19(15)25-18(14)16)24-21(29)20(28-12-23-26-27-28)13-6-2-1-3-7-13/h1-4,6-8,10,12,17,20,25H,5,9,11H2,(H,24,29)/t17?,20-/m1/s1
InChIKeyIFDFGGDCNCKFPR-UUSAFJCLSA-N
MW406.88 g/mol
LogP3.59
Rot. Bonds4

About (2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide

(2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 132992834) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is (2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID132992834
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC Name(2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NC1CCCc2c1[nH]c1c(Cl)cccc21)[C@@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C21H19ClN6O/c22-16-10-4-8-14-15-9-5-11-17(19(15)25-18(14)16)24-21(29)20(28-12-23-26-27-28)13-6-2-1-3-7-13/h1-4,6-8,10,12,17,20,25H,5,9,11H2,(H,24,29)/t17?,20-/m1/s1
InChIKeyIFDFGGDCNCKFPR-UUSAFJCLSA-N
XLogP3.59
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-cyclohexyl-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 39350754
(2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 125124025
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97496454
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97425428
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide
CID 97425394
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide
CID 97425395
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide
CID 75489736
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide
CID 75489035
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide
CID 97426181
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide
CID 97496306
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 97425983
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97266135

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 132992834) is (2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide is O=C(NC1CCCc2c1[nH]c1c(Cl)cccc21)[C@@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is IFDFGGDCNCKFPR-UUSAFJCLSA-N. The full InChI is InChI=1S/C21H19ClN6O/c22-16-10-4-8-14-15-9-5-11-17(19(15)25-18(14)16)24-21(29)20(28-12-23-26-27-28)13-6-2-1-3-7-13/h1-4,6-8,10,12,17,20,25H,5,9,11H2,(H,24,29)/t17?,20-/m1/s1.
What are the key properties of (2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 406.88 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 132992834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).