3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

C26H22FN3O3 — CID 20925777

IUPAC3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)N(Cc2ccc(F)cc2)Cc2cccnc2)oc2ccccc12)C1CC1
InChIInChI=1S/C26H22FN3O3/c27-20-11-7-17(8-12-20)15-30(16-18-4-3-13-28-14-18)26(32)24-23(29-25(31)19-9-10-19)21-5-1-2-6-22(21)33-24/h1-8,11-14,19H,9-10,15-16H2,(H,29,31)
InChIKeyJACTYSZUSLBCTM-UHFFFAOYSA-N
MW443.48 g/mol
LogP5.16
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 20925777) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID20925777
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC Name3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)N(Cc2ccc(F)cc2)Cc2cccnc2)oc2ccccc12)C1CC1
InChIInChI=1S/C26H22FN3O3/c27-20-11-7-17(8-12-20)15-30(16-18-4-3-13-28-14-18)26(32)24-23(29-25(31)19-9-10-19)21-5-1-2-6-22(21)33-24/h1-8,11-14,19H,9-10,15-16H2,(H,29,31)
InChIKeyJACTYSZUSLBCTM-UHFFFAOYSA-N
XLogP5.16
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide (CID 20925777) is 3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide is O=C(Nc1c(C(=O)N(Cc2ccc(F)cc2)Cc2cccnc2)oc2ccccc12)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is JACTYSZUSLBCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c27-20-11-7-17(8-12-20)15-30(16-18-4-3-13-28-14-18)26(32)24-23(29-25(31)19-9-10-19)21-5-1-2-6-22(21)33-24/h1-8,11-14,19H,9-10,15-16H2,(H,29,31).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20925777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).