N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide

C22H25FN2O4 — CID 1058846

About N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide

N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide (PubChem CID 1058846) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
• PubChem CID: 1058846
• Molecular Formula: C22H25FN2O4
• Molecular Weight: 400.45 g/mol
• Exact Mass: 400.18
• IUPAC Name: N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
• SMILES: O=C(CN(C(=O)c1cccc(F)c1)C1CC1)N(Cc1ccco1)C[C@@H]1CCCO1
• InChI: InChI=1S/C22H25FN2O4/c23-17-5-1-4-16(12-17)22(27)25(18-8-9-18)15-21(26)24(13-19-6-2-10-28-19)14-20-7-3-11-29-20/h1-2,4-6,10,12,18,20H,3,7-9,11,13-15H2/t20-/m0/s1
• InChIKey: VOCGVONKIFDWJL-FQEVSTJZSA-N
• XLogP: 3.23
• TPSA: 62.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.45
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide?

The IUPAC name of N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide (CID 1058846) is N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide is O=C(CN(C(=O)c1cccc(F)c1)C1CC1)N(Cc1ccco1)C[C@@H]1CCCO1.

What is the InChIKey of N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide?

The InChIKey is VOCGVONKIFDWJL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25FN2O4/c23-17-5-1-4-16(12-17)22(27)25(18-8-9-18)15-21(26)24(13-19-6-2-10-28-19)14-20-7-3-11-29-20/h1-2,4-6,10,12,18,20H,3,7-9,11,13-15H2/t20-/m0/s1.

What are the key properties of N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide?

N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 400.45 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 1058846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).