N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C16H14FNO2 — CID 47160691

IUPACN-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14FNO2/c17-14-4-1-11(2-5-14)10-18-16(19)13-3-6-15-12(9-13)7-8-20-15/h1-6,9H,7-8,10H2,(H,18,19)
InChIKeyKQASUURRRIYTJF-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.69
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 47160691) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID47160691
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14FNO2/c17-14-4-1-11(2-5-14)10-18-16(19)13-3-6-15-12(9-13)7-8-20-15/h1-6,9H,7-8,10H2,(H,18,19)
InChIKeyKQASUURRRIYTJF-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
CID 110787075
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55694577
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 50843841
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787066
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79530883
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
N-[(E)-4-aminobut-2-enyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113414856
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
N-[(4-fluorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53013560

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 47160691) is N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is KQASUURRRIYTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-14-4-1-11(2-5-14)10-18-16(19)13-3-6-15-12(9-13)7-8-20-15/h1-6,9H,7-8,10H2,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 271.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 47160691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).