3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide

C19H19Cl2N3O — CID 55644479

IUPAC3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide
SMILESCN(C)C(CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccccc1
InChIInChI=1S/C19H19Cl2N3O/c1-24(2)16(12-6-4-3-5-7-12)11-22-19(25)18-17(21)14-10-13(20)8-9-15(14)23-18/h3-10,16,23H,11H2,1-2H3,(H,22,25)
InChIKeyFRIRSLFYFBSOPN-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.51
Rot. Bonds5

About 3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide

3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 55644479) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide
PubChem CID55644479
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide
SMILESCN(C)C(CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccccc1
InChIInChI=1S/C19H19Cl2N3O/c1-24(2)16(12-6-4-3-5-7-12)11-22-19(25)18-17(21)14-10-13(20)8-9-15(14)23-18/h3-10,16,23H,11H2,1-2H3,(H,22,25)
InChIKeyFRIRSLFYFBSOPN-UHFFFAOYSA-N
XLogP4.51
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide
CID 60543987
3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
CID 110900787
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide
CID 111520117
N-[2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42893716
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 27230253
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
3,5-dichloro-N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide
CID 55967482
3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
CID 166187794
N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 3953863
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
3-[(3,5-dichloro-1H-indole-2-carbonyl)-ethylamino]propanoic acid
CID 119191758

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide (CID 55644479) is 3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide is CN(C)C(CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccccc1.
What is the InChIKey of 3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide?
The InChIKey is FRIRSLFYFBSOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c1-24(2)16(12-6-4-3-5-7-12)11-22-19(25)18-17(21)14-10-13(20)8-9-15(14)23-18/h3-10,16,23H,11H2,1-2H3,(H,22,25).
What are the key properties of 3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide?
3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 376.29 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55644479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).