2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone

C19H19ClN2O — CID 110655392

IUPAC2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CNCCc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H19ClN2O/c1-22-13-17(16-4-2-3-5-18(16)22)19(23)12-21-11-10-14-6-8-15(20)9-7-14/h2-9,13,21H,10-12H2,1H3
InChIKeyBPHPRUVNMKYNSX-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.85
Rot. Bonds6

About 2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone

2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone (PubChem CID 110655392) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone
PubChem CID110655392
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CNCCc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H19ClN2O/c1-22-13-17(16-4-2-3-5-18(16)22)19(23)12-21-11-10-14-6-8-15(20)9-7-14/h2-9,13,21H,10-12H2,1H3
InChIKeyBPHPRUVNMKYNSX-UHFFFAOYSA-N
XLogP3.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655455
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 63490619
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655508
2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655429
2-[(2-methoxyphenyl)methylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655369
1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110655363
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide
CID 60647462
methyl 2-[2-(4-chlorophenyl)ethylamino]acetate
CID 54033204
chloro 1-methylindole-3-carboxylate
CID 69132264

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone (CID 110655392) is 2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone is Cn1cc(C(=O)CNCCc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone?
The InChIKey is BPHPRUVNMKYNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-22-13-17(16-4-2-3-5-18(16)22)19(23)12-21-11-10-14-6-8-15(20)9-7-14/h2-9,13,21H,10-12H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone?
2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone has a molecular weight of 326.83 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 110655392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).