N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide

C26H26F2N4O2 — CID 178157612

About N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide

N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide (PubChem CID 178157612) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide.

Molecular Properties

• Compound Name: N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
• PubChem CID: 178157612
• Molecular Formula: C26H26F2N4O2
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.20
• IUPAC Name: N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
• SMILES: O=C(NC(CC1CCCC1)C(=O)Nc1ccccc1F)c1cccc(Nc2ccncc2F)c1
• InChI: InChI=1S/C26H26F2N4O2/c27-20-10-3-4-11-22(20)31-26(34)24(14-17-6-1-2-7-17)32-25(33)18-8-5-9-19(15-18)30-23-12-13-29-16-21(23)28/h3-5,8-13,15-17,24H,1-2,6-7,14H2,(H,29,30)(H,31,34)(H,32,33)
• InChIKey: ORHZYIHDZVZKQY-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 83.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide?

The IUPAC name of N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide (CID 178157612) is N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide.

What is the SMILES notation for N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide?

The canonical SMILES for N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide is O=C(NC(CC1CCCC1)C(=O)Nc1ccccc1F)c1cccc(Nc2ccncc2F)c1.

What is the InChIKey of N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide?

The InChIKey is ORHZYIHDZVZKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c27-20-10-3-4-11-22(20)31-26(34)24(14-17-6-1-2-7-17)32-25(33)18-8-5-9-19(15-18)30-23-12-13-29-16-21(23)28/h3-5,8-13,15-17,24H,1-2,6-7,14H2,(H,29,30)(H,31,34)(H,32,33).

What are the key properties of N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide?

N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide has a molecular weight of 464.52 g/mol, XLogP of 5.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide is sourced from PubChem (CID 178157612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).