1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide

C24H20ClFN2O2 — CID 25364335

About 1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 25364335) has the molecular formula C24H20ClFN2O2 and a molecular weight of 422.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 25364335
• Molecular Formula: C24H20ClFN2O2
• Molecular Weight: 422.89 g/mol
• Exact Mass: 422.12
• IUPAC Name: 1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
• SMILES: O=C(NC[C@@H]1Cc2cc(-c3ccccn3)cc(F)c2O1)C1(c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C24H20ClFN2O2/c25-18-6-4-17(5-7-18)24(8-9-24)23(29)28-14-19-12-16-11-15(13-20(26)22(16)30-19)21-3-1-2-10-27-21/h1-7,10-11,13,19H,8-9,12,14H2,(H,28,29)/t19-/m0/s1
• InChIKey: BVBZWDFQCQFETE-IBGZPJMESA-N
• XLogP: 4.69
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.89
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide (CID 25364335) is 1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide is O=C(NC[C@@H]1Cc2cc(-c3ccccn3)cc(F)c2O1)C1(c2ccc(Cl)cc2)CC1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide?

The InChIKey is BVBZWDFQCQFETE-IBGZPJMESA-N. The full InChI is InChI=1S/C24H20ClFN2O2/c25-18-6-4-17(5-7-18)24(8-9-24)23(29)28-14-19-12-16-11-15(13-20(26)22(16)30-19)21-3-1-2-10-27-21/h1-7,10-11,13,19H,8-9,12,14H2,(H,28,29)/t19-/m0/s1.

What are the key properties of 1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide?

1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 422.89 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 25364335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).