5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide

C24H19ClN2O — CID 91094574

IUPAC5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C24H19ClN2O/c25-18-10-11-21-20(14-18)22(15-6-2-1-3-7-15)23(27-21)24(28)26-19-12-16-8-4-5-9-17(16)13-19/h1-11,14,19,27H,12-13H2,(H,26,28)
InChIKeyPNUCPYRBSQJIPM-UHFFFAOYSA-N
MW386.88 g/mol
LogP5.39
Rot. Bonds3

About 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide

5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide (PubChem CID 91094574) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide
PubChem CID91094574
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C24H19ClN2O/c25-18-10-11-21-20(14-18)22(15-6-2-1-3-7-15)23(27-21)24(28)26-19-12-16-8-4-5-9-17(16)13-19/h1-11,14,19,27H,12-13H2,(H,26,28)
InChIKeyPNUCPYRBSQJIPM-UHFFFAOYSA-N
XLogP5.39
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide (CID 91094574) is 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide is O=C(NC1Cc2ccccc2C1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is PNUCPYRBSQJIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O/c25-18-10-11-21-20(14-18)22(15-6-2-1-3-7-15)23(27-21)24(28)26-19-12-16-8-4-5-9-17(16)13-19/h1-11,14,19,27H,12-13H2,(H,26,28).
What are the key properties of 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide?
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 91094574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).