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

C17H15BrFNO2 — CID 51212142

IUPAC5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide
SMILESO=C(NCC1COc2ccccc2C1)c1cc(Br)ccc1F
InChIInChI=1S/C17H15BrFNO2/c18-13-5-6-15(19)14(8-13)17(21)20-9-11-7-12-3-1-2-4-16(12)22-10-11/h1-6,8,11H,7,9-10H2,(H,20,21)
InChIKeyDCKOQOGLFYNXLT-UHFFFAOYSA-N
MW364.21 g/mol
LogP3.57
Rot. Bonds3

About 5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide

5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide (PubChem CID 51212142) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is 5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide
PubChem CID51212142
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC Name5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide
SMILESO=C(NCC1COc2ccccc2C1)c1cc(Br)ccc1F
InChIInChI=1S/C17H15BrFNO2/c18-13-5-6-15(19)14(8-13)17(21)20-9-11-7-12-3-1-2-4-16(12)22-10-11/h1-6,8,11H,7,9-10H2,(H,20,21)
InChIKeyDCKOQOGLFYNXLT-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-iodobenzamide
CID 43077937
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 47116194
2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 55394934
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide
CID 106128408
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
CID 51212134
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide (CID 51212142) is 5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide is O=C(NCC1COc2ccccc2C1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide?
The InChIKey is DCKOQOGLFYNXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO2/c18-13-5-6-15(19)14(8-13)17(21)20-9-11-7-12-3-1-2-4-16(12)22-10-11/h1-6,8,11H,7,9-10H2,(H,20,21).
What are the key properties of 5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide?
5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide has a molecular weight of 364.21 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide is sourced from PubChem (CID 51212142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).