N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide

C22H24ClN3O2 — CID 18112996

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C22H24ClN3O2/c1-3-25(15-21(27)24-19-14-18(23)9-8-16(19)2)22(28)11-13-26-12-10-17-6-4-5-7-20(17)26/h4-10,12,14H,3,11,13,15H2,1-2H3,(H,24,27)
InChIKeyPJWWVYVSJORDJC-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.48
Rot. Bonds7

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide (PubChem CID 18112996) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide
PubChem CID18112996
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C22H24ClN3O2/c1-3-25(15-21(27)24-19-14-18(23)9-8-16(19)2)22(28)11-13-26-12-10-17-6-4-5-7-20(17)26/h4-10,12,14H,3,11,13,15H2,1-2H3,(H,24,27)
InChIKeyPJWWVYVSJORDJC-UHFFFAOYSA-N
XLogP4.48
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-3-indol-1-ylpropanamide
CID 56532124
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050657
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetamide
CID 8908053
2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 9017928
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide
CID 26286651
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide
CID 24686704
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-oxochromene-3-carboxamide
CID 18112982
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide
CID 30137689
2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid
CID 119205084
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-ethylacetamide
CID 8539829
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8793283

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide (CID 18112996) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCn1ccc2ccccc21.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide?
The InChIKey is PJWWVYVSJORDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-3-25(15-21(27)24-19-14-18(23)9-8-16(19)2)22(28)11-13-26-12-10-17-6-4-5-7-20(17)26/h4-10,12,14H,3,11,13,15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide has a molecular weight of 397.91 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide is sourced from PubChem (CID 18112996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).