2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide

C19H16Cl2FN3O2 — CID 86964457

IUPAC2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H16Cl2FN3O2/c20-12-1-3-14(16(21)7-12)19(27)25-10-18(26)23-6-5-11-9-24-17-4-2-13(22)8-15(11)17/h1-4,7-9,24H,5-6,10H2,(H,23,26)(H,25,27)
InChIKeyIUUQQOQDZGAJOO-UHFFFAOYSA-N
MW408.26 g/mol
LogP3.70
Rot. Bonds6

About 2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 86964457) has the molecular formula C19H16Cl2FN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide
PubChem CID86964457
Molecular FormulaC19H16Cl2FN3O2
Molecular Weight408.26 g/mol
Exact Mass407.06
IUPAC Name2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H16Cl2FN3O2/c20-12-1-3-14(16(21)7-12)19(27)25-10-18(26)23-6-5-11-9-24-17-4-2-13(22)8-15(11)17/h1-4,7-9,24H,5-6,10H2,(H,23,26)(H,25,27)
InChIKeyIUUQQOQDZGAJOO-UHFFFAOYSA-N
XLogP3.70
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide
CID 113206229
N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60607228
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
2-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111972523
2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2604241
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 4845951

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide (CID 86964457) is 2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is IUUQQOQDZGAJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O2/c20-12-1-3-14(16(21)7-12)19(27)25-10-18(26)23-6-5-11-9-24-17-4-2-13(22)8-15(11)17/h1-4,7-9,24H,5-6,10H2,(H,23,26)(H,25,27).
What are the key properties of 2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 408.26 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86964457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).