3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide

C18H20ClN3O2 — CID 54837717

IUPAC3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H20ClN3O2/c1-3-20-18(24)13-5-4-6-15(9-13)21-11-17(23)22-16-10-14(19)8-7-12(16)2/h4-10,21H,3,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyMMUKQLPTCGRRGQ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.45
Rot. Bonds6

About 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide

3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide (PubChem CID 54837717) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
PubChem CID54837717
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H20ClN3O2/c1-3-20-18(24)13-5-4-6-15(9-13)21-11-17(23)22-16-10-14(19)8-7-12(16)2/h4-10,21H,3,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyMMUKQLPTCGRRGQ-UHFFFAOYSA-N
XLogP3.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54838010
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831343
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54819393
N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54838041
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide
CID 54819366
N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54842992
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide (CID 54837717) is 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2C)c1.
What is the InChIKey of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide?
The InChIKey is MMUKQLPTCGRRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-20-18(24)13-5-4-6-15(9-13)21-11-17(23)22-16-10-14(19)8-7-12(16)2/h4-10,21H,3,11H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide?
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide has a molecular weight of 345.83 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 54837717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).