N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C22H18FNO3 — CID 38612951

IUPACN-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C22H18FNO3/c23-18-4-2-6-20(13-18)27-14-15-3-1-5-19(11-15)24-22(25)17-7-8-21-16(12-17)9-10-26-21/h1-8,11-13H,9-10,14H2,(H,24,25)
InChIKeyOWUDJQHAVMVOPQ-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.59
Rot. Bonds5

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

N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 38612951) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID38612951
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C22H18FNO3/c23-18-4-2-6-20(13-18)27-14-15-3-1-5-19(11-15)24-22(25)17-7-8-21-16(12-17)9-10-26-21/h1-8,11-13H,9-10,14H2,(H,24,25)
InChIKeyOWUDJQHAVMVOPQ-UHFFFAOYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-fluorophenoxy)methyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55836607
methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55778127
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide
CID 38613495
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62198465
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
CID 55804746
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 38614359
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluorophenyl)propanamide
CID 34433022
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxybenzamide
CID 38558658

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 38612951) is N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is OWUDJQHAVMVOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c23-18-4-2-6-20(13-18)27-14-15-3-1-5-19(11-15)24-22(25)17-7-8-21-16(12-17)9-10-26-21/h1-8,11-13H,9-10,14H2,(H,24,25).
What are the key properties of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 38612951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).