5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide

C16H17Cl2N3O2 — CID 100647300

IUPAC5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O2/c1-23-7-6-20-16(22)12-9-11(19)3-5-14(12)21-15-4-2-10(17)8-13(15)18/h2-5,8-9,21H,6-7,19H2,1H3,(H,20,22)
InChIKeyOVUHWPIHQPPGOV-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.70
Rot. Bonds6

About 5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide

5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide (PubChem CID 100647300) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide
PubChem CID100647300
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O2/c1-23-7-6-20-16(22)12-9-11(19)3-5-14(12)21-15-4-2-10(17)8-13(15)18/h2-5,8-9,21H,6-7,19H2,1H3,(H,20,22)
InChIKeyOVUHWPIHQPPGOV-UHFFFAOYSA-N
XLogP3.70
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide
CID 100643393
5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100648665
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide
CID 100639598
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide
CID 100648128
4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 115738491
5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide
CID 100655411
5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 29286863

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide (CID 100647300) is 5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide?
The InChIKey is OVUHWPIHQPPGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-23-7-6-20-16(22)12-9-11(19)3-5-14(12)21-15-4-2-10(17)8-13(15)18/h2-5,8-9,21H,6-7,19H2,1H3,(H,20,22).
What are the key properties of 5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide?
5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide has a molecular weight of 354.24 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100647300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).