5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide

C20H20ClN3O3 — CID 38805224

IUPAC5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H20ClN3O3/c1-3-24(12-19(25)23-16-6-4-5-7-18(16)27-2)20(26)17-11-13-10-14(21)8-9-15(13)22-17/h4-11,22H,3,12H2,1-2H3,(H,23,25)
InChIKeyPJYXSRZSJBGLMH-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.93
Rot. Bonds6

About 5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide

5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 38805224) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide
PubChem CID38805224
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H20ClN3O3/c1-3-24(12-19(25)23-16-6-4-5-7-18(16)27-2)20(26)17-11-13-10-14(21)8-9-15(13)22-17/h4-11,22H,3,12H2,1-2H3,(H,23,25)
InChIKeyPJYXSRZSJBGLMH-UHFFFAOYSA-N
XLogP3.93
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-1H-indole-2-carboxamide
CID 134002686
2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 38794518
5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide
CID 134002575
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
N-ethyl-3-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
CID 46563290
3-(4-chlorophenyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 38803115
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide
CID 47078974
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
CID 47024404
(2R)-2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119267268
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 63117755

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide (CID 38805224) is 5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
The InChIKey is PJYXSRZSJBGLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-3-24(12-19(25)23-16-6-4-5-7-18(16)27-2)20(26)17-11-13-10-14(21)8-9-15(13)22-17/h4-11,22H,3,12H2,1-2H3,(H,23,25).
What are the key properties of 5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 38805224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).