3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide

C18H20ClN3O3 — CID 54836164

IUPAC3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN3O3/c1-25-10-9-20-18(24)13-3-2-4-16(11-13)21-12-17(23)22-15-7-5-14(19)6-8-15/h2-8,11,21H,9-10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyRJLDZYKIIXLKFL-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.77
Rot. Bonds8

About 3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide

3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 54836164) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID54836164
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN3O3/c1-25-10-9-20-18(24)13-3-2-4-16(11-13)21-12-17(23)22-15-7-5-14(19)6-8-15/h2-8,11,21H,9-10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyRJLDZYKIIXLKFL-UHFFFAOYSA-N
XLogP2.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54836232
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-(2-methoxyethyl)-3-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54838787
N-(2-methoxyethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54838931
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54815217
N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54844566
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836295
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54833883
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide (CID 54836164) is 3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is RJLDZYKIIXLKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-25-10-9-20-18(24)13-3-2-4-16(11-13)21-12-17(23)22-15-7-5-14(19)6-8-15/h2-8,11,21H,9-10,12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide?
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 361.83 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 54836164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).