N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

C22H26ClN3O3 — CID 119573903

About N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119573903) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
• PubChem CID: 119573903
• Molecular Formula: C22H26ClN3O3
• Molecular Weight: 415.92 g/mol
• Exact Mass: 415.17
• IUPAC Name: N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
• SMILES: CC(CN)(NC(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1)C1CC1.Cl
• InChI: InChI=1S/C22H25N3O3.ClH/c1-22(13-23,16-9-10-16)25-20(26)15-6-4-7-17(11-15)24-21(27)19-12-14-5-2-3-8-18(14)28-19;/h2-8,11,16,19H,9-10,12-13,23H2,1H3,(H,24,27)(H,25,26);1H
• InChIKey: MSELXMRUKJQYJB-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 93.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.92
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?

The IUPAC name of N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (CID 119573903) is N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?

The canonical SMILES for N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is CC(CN)(NC(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1)C1CC1.Cl.

What is the InChIKey of N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?

The InChIKey is MSELXMRUKJQYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.ClH/c1-22(13-23,16-9-10-16)25-20(26)15-6-4-7-17(11-15)24-21(27)19-12-14-5-2-3-8-18(14)28-19;/h2-8,11,16,19H,9-10,12-13,23H2,1H3,(H,24,27)(H,25,26);1H.

What are the key properties of N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?

N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119573903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).