2-anilino-1-(1-methylindol-3-yl)ethanone

C17H16N2O — CID 110655426

IUPAC2-anilino-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CNc2ccccc2)c2ccccc21
InChIInChI=1S/C17H16N2O/c1-19-12-15(14-9-5-6-10-16(14)19)17(20)11-18-13-7-3-2-4-8-13/h2-10,12,18H,11H2,1H3
InChIKeyLOGODKOYSJFAGP-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.47
Rot. Bonds4

About 2-anilino-1-(1-methylindol-3-yl)ethanone

2-anilino-1-(1-methylindol-3-yl)ethanone (PubChem CID 110655426) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-anilino-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-anilino-1-(1-methylindol-3-yl)ethanone
PubChem CID110655426
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-anilino-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CNc2ccccc2)c2ccccc21
InChIInChI=1S/C17H16N2O/c1-19-12-15(14-9-5-6-10-16(14)19)17(20)11-18-13-7-3-2-4-8-13/h2-10,12,18H,11H2,1H3
InChIKeyLOGODKOYSJFAGP-UHFFFAOYSA-N
XLogP3.47
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655429
2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655485
1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110655363
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655455
2-[(2-methoxyphenyl)methylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655369
2,2-dimethyl-3-(1-methylindol-3-yl)-3-oxopropanoic acid
CID 116918097
2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone
CID 110655518
2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655508
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655392

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-anilino-1-(1-methylindol-3-yl)ethanone (CID 110655426) is 2-anilino-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-anilino-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-anilino-1-(1-methylindol-3-yl)ethanone is Cn1cc(C(=O)CNc2ccccc2)c2ccccc21.
What is the InChIKey of 2-anilino-1-(1-methylindol-3-yl)ethanone?
The InChIKey is LOGODKOYSJFAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19-12-15(14-9-5-6-10-16(14)19)17(20)11-18-13-7-3-2-4-8-13/h2-10,12,18H,11H2,1H3.
What are the key properties of 2-anilino-1-(1-methylindol-3-yl)ethanone?
2-anilino-1-(1-methylindol-3-yl)ethanone has a molecular weight of 264.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 110655426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).