N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide

C16H14FNO2 — CID 18193126

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
SMILESO=C(NC1CCOc2ccccc21)c1ccccc1F
InChIInChI=1S/C16H14FNO2/c17-13-7-3-1-5-11(13)16(19)18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8,14H,9-10H2,(H,18,19)
InChIKeyNAIVGXMIJDRCJX-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.08
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide (PubChem CID 18193126) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
PubChem CID18193126
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
SMILESO=C(NC1CCOc2ccccc21)c1ccccc1F
InChIInChI=1S/C16H14FNO2/c17-13-7-3-1-5-11(13)16(19)18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8,14H,9-10H2,(H,18,19)
InChIKeyNAIVGXMIJDRCJX-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400
N-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9047848
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide
CID 104916741
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide
CID 8819779
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 47049200
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572299
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572300
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8819787
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 110866066

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide (CID 18193126) is N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide is O=C(NC1CCOc2ccccc21)c1ccccc1F.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide?
The InChIKey is NAIVGXMIJDRCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-13-7-3-1-5-11(13)16(19)18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8,14H,9-10H2,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide has a molecular weight of 271.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 18193126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).