5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide

C13H17Cl2N3O3 — CID 107185821

IUPAC5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
SMILESCOCCNC(=O)CCNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N3O3/c1-21-5-4-17-11(19)2-3-18-13(20)9-6-8(16)7-10(14)12(9)15/h6-7H,2-5,16H2,1H3,(H,17,19)(H,18,20)
InChIKeySBWRCJVYMIWSFJ-UHFFFAOYSA-N
MW334.20 g/mol
LogP1.46
Rot. Bonds7

About 5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide

5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide (PubChem CID 107185821) has the molecular formula C13H17Cl2N3O3 and a molecular weight of 334.20 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
PubChem CID107185821
Molecular FormulaC13H17Cl2N3O3
Molecular Weight334.20 g/mol
Exact Mass333.06
IUPAC Name5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
SMILESCOCCNC(=O)CCNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N3O3/c1-21-5-4-17-11(19)2-3-18-13(20)9-6-8(16)7-10(14)12(9)15/h6-7H,2-5,16H2,1H3,(H,17,19)(H,18,20)
InChIKeySBWRCJVYMIWSFJ-UHFFFAOYSA-N
XLogP1.46
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 51.46
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-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 107184920
4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 115738491
5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705898
[3-(ethylamino)-3-oxopropyl] 5-amino-2,3-dichlorobenzoate
CID 107199189
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103764472
2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-nitrobenzamide
CID 51092469
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
CID 107185636
5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide
CID 107184918
5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 115590920
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide (CID 107185821) is 5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide is COCCNC(=O)CCNC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide?
The InChIKey is SBWRCJVYMIWSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O3/c1-21-5-4-17-11(19)2-3-18-13(20)9-6-8(16)7-10(14)12(9)15/h6-7H,2-5,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide?
5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide has a molecular weight of 334.20 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 107185821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).