4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide

C11H13Cl2N3O3 — CID 103873774

IUPAC4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
SMILESNC(=O)COCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3O3/c12-7-3-6(4-8(13)10(7)15)11(18)16-1-2-19-5-9(14)17/h3-4H,1-2,5,15H2,(H2,14,17)(H,16,18)
InChIKeyAIYTYDOTSCWIHM-UHFFFAOYSA-N
MW306.15 g/mol
LogP0.81
Rot. Bonds6

About 4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide

4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide (PubChem CID 103873774) has the molecular formula C11H13Cl2N3O3 and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
PubChem CID103873774
Molecular FormulaC11H13Cl2N3O3
Molecular Weight306.15 g/mol
Exact Mass305.03
IUPAC Name4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
SMILESNC(=O)COCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3O3/c12-7-3-6(4-8(13)10(7)15)11(18)16-1-2-19-5-9(14)17/h3-4H,1-2,5,15H2,(H2,14,17)(H,16,18)
InChIKeyAIYTYDOTSCWIHM-UHFFFAOYSA-N
XLogP0.81
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 50.81
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

4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103099439
4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide
CID 103874570
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide
CID 106233317
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-4-nitrobenzamide
CID 104864836
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide
CID 103767651
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide
CID 106233283
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 106241191
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide?
The IUPAC name of 4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide (CID 103873774) is 4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide.
What is the SMILES notation for 4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide?
The canonical SMILES for 4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide is NC(=O)COCCNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide?
The InChIKey is AIYTYDOTSCWIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O3/c12-7-3-6(4-8(13)10(7)15)11(18)16-1-2-19-5-9(14)17/h3-4H,1-2,5,15H2,(H2,14,17)(H,16,18).
What are the key properties of 4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide?
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide has a molecular weight of 306.15 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide is sourced from PubChem (CID 103873774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).