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

C17H16FNO2 — CID 110709244

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
SMILESO=C(NCC1CCOc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c18-14-7-5-12(6-8-14)17(20)19-11-13-9-10-21-16-4-2-1-3-15(13)16/h1-8,13H,9-11H2,(H,19,20)
InChIKeyCTDZZTBUCNTYDD-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.12
Rot. Bonds3

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

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide (PubChem CID 110709244) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
PubChem CID110709244
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
SMILESO=C(NCC1CCOc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c18-14-7-5-12(6-8-14)17(20)19-11-13-9-10-21-16-4-2-1-3-15(13)16/h1-8,13H,9-11H2,(H,19,20)
InChIKeyCTDZZTBUCNTYDD-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 124606063
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide
CID 129399359
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
CID 119126287
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
4-fluoro-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]benzamide
CID 110723222
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide
CID 136515525

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide (CID 110709244) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide is O=C(NCC1CCOc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide?
The InChIKey is CTDZZTBUCNTYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-14-7-5-12(6-8-14)17(20)19-11-13-9-10-21-16-4-2-1-3-15(13)16/h1-8,13H,9-11H2,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide has a molecular weight of 285.32 g/mol, XLogP of 3.12, 3 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-ylmethyl)-4-fluorobenzamide is sourced from PubChem (CID 110709244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).