2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide

C20H19ClFN3O2 — CID 113165218

IUPAC2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H19ClFN3O2/c1-13(26)25(9-8-14-11-23-19-5-3-2-4-16(14)19)12-20(27)24-15-6-7-18(22)17(21)10-15/h2-7,10-11,23H,8-9,12H2,1H3,(H,24,27)
InChIKeyJXITWCAPTRGMQD-UHFFFAOYSA-N
MW387.84 g/mol
LogP3.99
Rot. Bonds6

About 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide

2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 113165218) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID113165218
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H19ClFN3O2/c1-13(26)25(9-8-14-11-23-19-5-3-2-4-16(14)19)12-20(27)24-15-6-7-18(22)17(21)10-15/h2-7,10-11,23H,8-9,12H2,1H3,(H,24,27)
InChIKeyJXITWCAPTRGMQD-UHFFFAOYSA-N
XLogP3.99
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 113165241
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113165203
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
CID 113121825
2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113159914
1-(3-chloro-4-fluorophenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]thiourea
CID 8767861
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 4807536
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165206
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113158932
2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113167057
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047833
N-(3-chloro-4-fluorophenyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209314

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide (CID 113165218) is 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is JXITWCAPTRGMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-13(26)25(9-8-14-11-23-19-5-3-2-4-16(14)19)12-20(27)24-15-6-7-18(22)17(21)10-15/h2-7,10-11,23H,8-9,12H2,1H3,(H,24,27).
What are the key properties of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 387.84 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 113165218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).