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

C23H20ClN3O2 — CID 45178231

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

1-(4-chlorophenyl)-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 45178231) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropane-1-carboxamide
• PubChem CID: 45178231
• Molecular Formula: C23H20ClN3O2
• Molecular Weight: 405.89 g/mol
• Exact Mass: 405.12
• IUPAC Name: 1-(4-chlorophenyl)-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropane-1-carboxamide
• SMILES: O=C(NCC1Cc2cccc(-c3cncnc3)c2O1)C1(c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C23H20ClN3O2/c24-18-6-4-17(5-7-18)23(8-9-23)22(28)27-13-19-10-15-2-1-3-20(21(15)29-19)16-11-25-14-26-12-16/h1-7,11-12,14,19H,8-10,13H2,(H,27,28)
• InChIKey: KWBLYUBILPEWIS-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.89
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorophenyl)-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropane-1-carboxamide (CID 45178231) is 1-(4-chlorophenyl)-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropane-1-carboxamide.

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

The canonical SMILES for 1-(4-chlorophenyl)-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropane-1-carboxamide is O=C(NCC1Cc2cccc(-c3cncnc3)c2O1)C1(c2ccc(Cl)cc2)CC1.

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

The InChIKey is KWBLYUBILPEWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-18-6-4-17(5-7-18)23(8-9-23)22(28)27-13-19-10-15-2-1-3-20(21(15)29-19)16-11-25-14-26-12-16/h1-7,11-12,14,19H,8-10,13H2,(H,27,28).

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

1-(4-chlorophenyl)-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 45178231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).