[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone

C17H16N2O — CID 116917320

IUPAC[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone
SMILESCNc1cccc(C(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H16N2O/c1-18-13-7-5-6-12(10-13)17(20)15-11-19(2)16-9-4-3-8-14(15)16/h3-11,18H,1-2H3
InChIKeyOOYMHNRYFUGJEW-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.45
Rot. Bonds3

About [3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone

[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone (PubChem CID 116917320) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is [3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone
PubChem CID116917320
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone
SMILESCNc1cccc(C(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H16N2O/c1-18-13-7-5-6-12(10-13)17(20)15-11-19(2)16-9-4-3-8-14(15)16/h3-11,18H,1-2H3
InChIKeyOOYMHNRYFUGJEW-UHFFFAOYSA-N
XLogP3.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylindol-3-yl)-quinoxalin-6-ylmethanone
CID 170857089
furan-3-yl-(1-methylindol-3-yl)methanone
CID 43463454
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone
CID 107959895
(1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone
CID 163878841
3-(methylamino)benzamide
CID 18727714
1-methylindole-3-carbothioic S-acid
CID 116918837
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
ethane;3-(methylamino)benzamide
CID 142071023
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone
CID 81111128
1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine
CID 117041066

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone (CID 116917320) is [3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone is CNc1cccc(C(=O)c2cn(C)c3ccccc23)c1.
What is the InChIKey of [3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone?
The InChIKey is OOYMHNRYFUGJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-18-13-7-5-6-12(10-13)17(20)15-11-19(2)16-9-4-3-8-14(15)16/h3-11,18H,1-2H3.
What are the key properties of [3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone?
[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 116917320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).