N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide

C16H14FNO3 — CID 26070603

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCCCO2)c1cccc(F)c1
InChIInChI=1S/C16H14FNO3/c17-12-4-1-3-11(9-12)16(19)18-13-5-6-14-15(10-13)21-8-2-7-20-14/h1,3-6,9-10H,2,7-8H2,(H,18,19)
InChIKeyRTLVBQALPLOWAK-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.24
Rot. Bonds2

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide (PubChem CID 26070603) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide
PubChem CID26070603
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCCCO2)c1cccc(F)c1
InChIInChI=1S/C16H14FNO3/c17-12-4-1-3-11(9-12)16(19)18-13-5-6-14-15(10-13)21-8-2-7-20-14/h1,3-6,9-10H,2,7-8H2,(H,18,19)
InChIKeyRTLVBQALPLOWAK-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide
CID 26070602
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-fluorophenyl)benzamide
CID 29291056
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-difluorobenzamide
CID 30501354
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9453653
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
CID 2810385
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluoropyridine-3-carboxamide
CID 63972545
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057767
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
3-(chloromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 43333468
3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]benzamide
CID 2220429
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46563844
N-quinoxalin-6-yl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 4898801

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide (CID 26070603) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide is O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(F)c1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide?
The InChIKey is RTLVBQALPLOWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-12-4-1-3-11(9-12)16(19)18-13-5-6-14-15(10-13)21-8-2-7-20-14/h1,3-6,9-10H,2,7-8H2,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide has a molecular weight of 287.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide is sourced from PubChem (CID 26070603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).