NDZDJUSQBJHCBF-UHFFFAOYSA-N

C₁₇H₂₈ClN₃O₃ — CID 14116911

About NDZDJUSQBJHCBF-UHFFFAOYSA-N

NDZDJUSQBJHCBF-UHFFFAOYSA-N (PubChem CID 14116911) has the molecular formula C₁₇H₂₈ClN₃O₃ and a molecular weight of 357.88 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-hydroxybutan-2-yloxy)benzamide.

Molecular Properties

• Compound Name: NDZDJUSQBJHCBF-UHFFFAOYSA-N
• PubChem CID: 14116911
• Molecular Formula: C₁₇H₂₈ClN₃O₃
• Molecular Weight: 357.88 g/mol
• Exact Mass: 357.18
• IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-hydroxybutan-2-yloxy)benzamide
• SMILES: CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC(C)C(C)O
• InChI: InChI=1S/C17H28ClN3O3/c1-5-21(6-2)8-7-20-17(23)13-9-14(18)15(19)10-16(13)24-12(4)11(3)22/h9-12,22H,5-8,19H2,1-4H3,(H,20,23)
• InChIKey: NDZDJUSQBJHCBF-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 87.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.88
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of NDZDJUSQBJHCBF-UHFFFAOYSA-N?

The IUPAC name of NDZDJUSQBJHCBF-UHFFFAOYSA-N (CID 14116911) is 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-hydroxybutan-2-yloxy)benzamide.

What is the SMILES notation for NDZDJUSQBJHCBF-UHFFFAOYSA-N?

The canonical SMILES for NDZDJUSQBJHCBF-UHFFFAOYSA-N is CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC(C)C(C)O.

What is the InChIKey of NDZDJUSQBJHCBF-UHFFFAOYSA-N?

The InChIKey is NDZDJUSQBJHCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O3/c1-5-21(6-2)8-7-20-17(23)13-9-14(18)15(19)10-16(13)24-12(4)11(3)22/h9-12,22H,5-8,19H2,1-4H3,(H,20,23).

What are the key properties of NDZDJUSQBJHCBF-UHFFFAOYSA-N?

NDZDJUSQBJHCBF-UHFFFAOYSA-N has a molecular weight of 357.88 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for NDZDJUSQBJHCBF-UHFFFAOYSA-N is sourced from PubChem (CID 14116911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 14116911 — identifiers, structure, computed properties (public domain)

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