N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide

C₁₈H₁₉ClN₂O₂ — CID 879535

About N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide

N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide (PubChem CID 879535) has the molecular formula C₁₈H₁₉ClN₂O₂ and a molecular weight of 330.82 g/mol. Its IUPAC name is N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide.

Molecular Properties

• Compound Name: N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
• PubChem CID: 879535
• Molecular Formula: C₁₈H₁₉ClN₂O₂
• Molecular Weight: 330.82 g/mol
• Exact Mass: 330.11
• IUPAC Name: N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
• SMILES: CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C18H19ClN2O2/c1-18(2,3)21-17(23)13-5-4-6-15(11-13)20-16(22)12-7-9-14(19)10-8-12/h4-11H,1-3H3,(H,20,22)(H,21,23)
• InChIKey: WUIXLKOYYYMQDQ-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.82
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide?

The IUPAC name of N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide (CID 879535) is N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide.

What is the SMILES notation for N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide?

The canonical SMILES for N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1.

What is the InChIKey of N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide?

The InChIKey is WUIXLKOYYYMQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-18(2,3)21-17(23)13-5-4-6-15(11-13)20-16(22)12-7-9-14(19)10-8-12/h4-11H,1-3H3,(H,20,22)(H,21,23).

What are the key properties of N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide?

N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide has a molecular weight of 330.82 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide is sourced from PubChem (CID 879535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 879535 — identifiers, structure, computed properties (public domain)

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