N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide

C24H21FN2O2 — CID 35578886

IUPACN-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)N(Cc3ccccc3F)c3ccccn3)c(C)c2c1
InChIInChI=1S/C24H21FN2O2/c1-15-12-16(2)22-19(13-15)17(3)23(29-22)24(28)27(21-10-6-7-11-26-21)14-18-8-4-5-9-20(18)25/h4-13H,14H2,1-3H3
InChIKeyBYXWJUZDAPWXIX-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.74
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide

N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide (PubChem CID 35578886) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
PubChem CID35578886
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC NameN-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)N(Cc3ccccc3F)c3ccccn3)c(C)c2c1
InChIInChI=1S/C24H21FN2O2/c1-15-12-16(2)22-19(13-15)17(3)23(29-22)24(28)27(21-10-6-7-11-26-21)14-18-8-4-5-9-20(18)25/h4-13H,14H2,1-3H3
InChIKeyBYXWJUZDAPWXIX-UHFFFAOYSA-N
XLogP5.74
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide (CID 35578886) is N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide is Cc1cc(C)c2oc(C(=O)N(Cc3ccccc3F)c3ccccn3)c(C)c2c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is BYXWJUZDAPWXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-15-12-16(2)22-19(13-15)17(3)23(29-22)24(28)27(21-10-6-7-11-26-21)14-18-8-4-5-9-20(18)25/h4-13H,14H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35578886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).