3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide

C19H22ClN3O2 — CID 55898253

IUPAC3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NCC(=O)Nc2ccc(C)cc2Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-4-21-19(25)14-7-6-13(3)17(10-14)22-11-18(24)23-16-8-5-12(2)9-15(16)20/h5-10,22H,4,11H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyJNCVQSOUGBUJHL-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.76
Rot. Bonds6

About 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide

3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide (PubChem CID 55898253) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide
PubChem CID55898253
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NCC(=O)Nc2ccc(C)cc2Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-4-21-19(25)14-7-6-13(3)17(10-14)22-11-18(24)23-16-8-5-12(2)9-15(16)20/h5-10,22H,4,11H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyJNCVQSOUGBUJHL-UHFFFAOYSA-N
XLogP3.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
methyl 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104381
N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079599
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362
4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide
CID 7926606
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 87001573
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837717
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide (CID 55898253) is 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NCC(=O)Nc2ccc(C)cc2Cl)c1.
What is the InChIKey of 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide?
The InChIKey is JNCVQSOUGBUJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-4-21-19(25)14-7-6-13(3)17(10-14)22-11-18(24)23-16-8-5-12(2)9-15(16)20/h5-10,22H,4,11H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide?
3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide has a molecular weight of 359.86 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 55898253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).