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

C21H22ClN3O2 — CID 113171713

IUPAC2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1c[nH]c2ccccc12)c1cccc(Cl)c1C
InChIInChI=1S/C21H22ClN3O2/c1-14-18(22)7-5-9-20(14)25(15(2)26)13-21(27)23-11-10-16-12-24-19-8-4-3-6-17(16)19/h3-9,12,24H,10-11,13H2,1-2H3,(H,23,27)
InChIKeyFCMHPCKVMXCRHA-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.84
Rot. Bonds6

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

2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 113171713) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID113171713
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1c[nH]c2ccccc12)c1cccc(Cl)c1C
InChIInChI=1S/C21H22ClN3O2/c1-14-18(22)7-5-9-20(14)25(15(2)26)13-21(27)23-11-10-16-12-24-19-8-4-3-6-17(16)19/h3-9,12,24H,10-11,13H2,1-2H3,(H,23,27)
InChIKeyFCMHPCKVMXCRHA-UHFFFAOYSA-N
XLogP3.84
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113171880
2-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173158
2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113181426
2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
CID 113171684
2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113181072
2-[acetyl(cyclopropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113158350
2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173902
3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113128750
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8554460
1-(3-chloro-2-methylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 702579
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 113171713) is 2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide is CC(=O)N(CC(=O)NCCc1c[nH]c2ccccc12)c1cccc(Cl)c1C.
What is the InChIKey of 2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is FCMHPCKVMXCRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-14-18(22)7-5-9-20(14)25(15(2)26)13-21(27)23-11-10-16-12-24-19-8-4-3-6-17(16)19/h3-9,12,24H,10-11,13H2,1-2H3,(H,23,27).
What are the key properties of 2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 383.88 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 113171713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).