3-(dimethylamino)-N-(1H-indol-5-yl)benzamide

C17H17N3O — CID 110744980

IUPAC3-(dimethylamino)-N-(1H-indol-5-yl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C17H17N3O/c1-20(2)15-5-3-4-13(11-15)17(21)19-14-6-7-16-12(10-14)8-9-18-16/h3-11,18H,1-2H3,(H,19,21)
InChIKeyRNGHAWVJFFLBLE-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.49
Rot. Bonds3

About 3-(dimethylamino)-N-(1H-indol-5-yl)benzamide

3-(dimethylamino)-N-(1H-indol-5-yl)benzamide (PubChem CID 110744980) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(1H-indol-5-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(1H-indol-5-yl)benzamide
PubChem CID110744980
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(dimethylamino)-N-(1H-indol-5-yl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C17H17N3O/c1-20(2)15-5-3-4-13(11-15)17(21)19-14-6-7-16-12(10-14)8-9-18-16/h3-11,18H,1-2H3,(H,19,21)
InChIKeyRNGHAWVJFFLBLE-UHFFFAOYSA-N
XLogP3.49
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide
CID 50995790
N-(1H-indol-5-yl)-3-methoxybenzamide
CID 110730731
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
3,5-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571909
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
N-(3-ethylphenyl)-1H-indole-5-carboxamide
CID 63717864
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
3-(dimethylamino)-N-(4-formylphenyl)benzamide
CID 106912114

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(1H-indol-5-yl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(1H-indol-5-yl)benzamide (CID 110744980) is 3-(dimethylamino)-N-(1H-indol-5-yl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(1H-indol-5-yl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(1H-indol-5-yl)benzamide is CN(C)c1cccc(C(=O)Nc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(1H-indol-5-yl)benzamide?
The InChIKey is RNGHAWVJFFLBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(2)15-5-3-4-13(11-15)17(21)19-14-6-7-16-12(10-14)8-9-18-16/h3-11,18H,1-2H3,(H,19,21).
What are the key properties of 3-(dimethylamino)-N-(1H-indol-5-yl)benzamide?
3-(dimethylamino)-N-(1H-indol-5-yl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(1H-indol-5-yl)benzamide is sourced from PubChem (CID 110744980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).