5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide

C21H18ClN3O — CID 25141102

IUPAC5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide
SMILESCC1(C)Cc2ccc(C#N)cc2[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H18ClN3O/c1-21(2)10-13-4-3-12(11-23)7-16(13)19(21)25-20(26)18-9-14-8-15(22)5-6-17(14)24-18/h3-9,19,24H,10H2,1-2H3,(H,25,26)/t19-/m0/s1
InChIKeySNFVSMRGSXSORF-IBGZPJMESA-N
MW363.85 g/mol
LogP4.75
Rot. Bonds2

About 5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide

5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide (PubChem CID 25141102) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide
PubChem CID25141102
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide
SMILESCC1(C)Cc2ccc(C#N)cc2[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H18ClN3O/c1-21(2)10-13-4-3-12(11-23)7-16(13)19(21)25-20(26)18-9-14-8-15(22)5-6-17(14)24-18/h3-9,19,24H,10H2,1-2H3,(H,25,26)/t19-/m0/s1
InChIKeySNFVSMRGSXSORF-IBGZPJMESA-N
XLogP4.75
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide (CID 25141102) is 5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide is CC1(C)Cc2ccc(C#N)cc2[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide?
The InChIKey is SNFVSMRGSXSORF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-21(2)10-13-4-3-12(11-23)7-16(13)19(21)25-20(26)18-9-14-8-15(22)5-6-17(14)24-18/h3-9,19,24H,10H2,1-2H3,(H,25,26)/t19-/m0/s1.
What are the key properties of 5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 25141102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).