5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide

C₁₄H₁₉ClN₂O₂ — CID 106119078

About 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide

5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide (PubChem CID 106119078) has the molecular formula C₁₄H₁₉ClN₂O₂ and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

• Compound Name: 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
• PubChem CID: 106119078
• Molecular Formula: C₁₄H₁₉ClN₂O₂
• Molecular Weight: 282.77 g/mol
• Exact Mass: 282.11
• IUPAC Name: 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
• SMILES: Nc1ccc(Cl)c(C(=O)NCC2CCC(O)CC2)c1
• InChI: InChI=1S/C14H19ClN2O2/c15-13-6-3-10(16)7-12(13)14(19)17-8-9-1-4-11(18)5-2-9/h3,6-7,9,11,18H,1-2,4-5,8,16H2,(H,17,19)
• InChIKey: JWJVIURAWCTDAY-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 75.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.77
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide?

The IUPAC name of 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide (CID 106119078) is 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide.

What is the SMILES notation for 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide?

The canonical SMILES for 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide is Nc1ccc(Cl)c(C(=O)NCC2CCC(O)CC2)c1.

What is the InChIKey of 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide?

The InChIKey is JWJVIURAWCTDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-6-3-10(16)7-12(13)14(19)17-8-9-1-4-11(18)5-2-9/h3,6-7,9,11,18H,1-2,4-5,8,16H2,(H,17,19).

What are the key properties of 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide?

5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 106119078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106119078 — identifiers, structure, computed properties (public domain)

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