N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C22H17FN2O3 — CID 42926742

IUPACN-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C22H17FN2O3/c23-15-9-11-16(12-10-15)24-21(26)17-6-2-3-7-18(17)25-22(27)20-13-14-5-1-4-8-19(14)28-20/h1-12,20H,13H2,(H,24,26)(H,25,27)
InChIKeyLVDBKOFMNXCVLP-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.02
Rot. Bonds4

About N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 42926742) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID42926742
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC NameN-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C22H17FN2O3/c23-15-9-11-16(12-10-15)24-21(26)17-6-2-3-7-18(17)25-22(27)20-13-14-5-1-4-8-19(14)28-20/h1-12,20H,13H2,(H,24,26)(H,25,27)
InChIKeyLVDBKOFMNXCVLP-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 42926742) is N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LVDBKOFMNXCVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c23-15-9-11-16(12-10-15)24-21(26)17-6-2-3-7-18(17)25-22(27)20-13-14-5-1-4-8-19(14)28-20/h1-12,20H,13H2,(H,24,26)(H,25,27).
What are the key properties of N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42926742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).