N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide

C19H21ClN2O3 — CID 175979145

IUPACN-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide
SMILESCOCCNC(=O)c1ccc(Cl)cc1NC(=O)c1c(C)cccc1C
InChIInChI=1S/C19H21ClN2O3/c1-12-5-4-6-13(2)17(12)19(24)22-16-11-14(20)7-8-15(16)18(23)21-9-10-25-3/h4-8,11H,9-10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLIRJCTAHLULYFL-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.59
Rot. Bonds6

About N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide

N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide (PubChem CID 175979145) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide
PubChem CID175979145
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide
SMILESCOCCNC(=O)c1ccc(Cl)cc1NC(=O)c1c(C)cccc1C
InChIInChI=1S/C19H21ClN2O3/c1-12-5-4-6-13(2)17(12)19(24)22-16-11-14(20)7-8-15(16)18(23)21-9-10-25-3/h4-8,11H,9-10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLIRJCTAHLULYFL-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-methoxyethyl)-2-[(2-methylbenzoyl)amino]benzamide
CID 175979155
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921
6-N-(5-chloro-2-methoxyphenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095751
2-methoxyethyl 5-[[5-chloro-2-(propylcarbamoyl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55896504
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate
CID 44577383
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155
2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 100536807
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
[2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
CID 9318757

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide (CID 175979145) is N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide is COCCNC(=O)c1ccc(Cl)cc1NC(=O)c1c(C)cccc1C.
What is the InChIKey of N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide?
The InChIKey is LIRJCTAHLULYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-5-4-6-13(2)17(12)19(24)22-16-11-14(20)7-8-15(16)18(23)21-9-10-25-3/h4-8,11H,9-10H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide?
N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide has a molecular weight of 360.84 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 175979145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).