5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide

C19H19ClN2O2 — CID 56882195

IUPAC5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide
SMILESCC(CO)N(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-12(11-23)22(2)19(24)18-17(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)21-18/h3-10,12,21,23H,11H2,1-2H3
InChIKeyYRGCKQNPTBVCQH-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.94
Rot. Bonds4

About 5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide

5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide (PubChem CID 56882195) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide
PubChem CID56882195
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide
SMILESCC(CO)N(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-12(11-23)22(2)19(24)18-17(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)21-18/h3-10,12,21,23H,11H2,1-2H3
InChIKeyYRGCKQNPTBVCQH-UHFFFAOYSA-N
XLogP3.94
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide (CID 56882195) is 5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide is CC(CO)N(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is YRGCKQNPTBVCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12(11-23)22(2)19(24)18-17(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)21-18/h3-10,12,21,23H,11H2,1-2H3.
What are the key properties of 5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide?
5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 56882195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).