3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide

C15H19BrFNO2 — CID 106548037

IUPAC3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cccc(Br)c1F
InChIInChI=1S/C15H19BrFNO2/c16-12-7-5-6-11(13(12)17)14(19)18-10-15(20)8-3-1-2-4-9-15/h5-7,20H,1-4,8-10H2,(H,18,19)
InChIKeyQABJVMATKPSRLG-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.40
Rot. Bonds3

About 3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide

3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 106548037) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID106548037
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cccc(Br)c1F
InChIInChI=1S/C15H19BrFNO2/c16-12-7-5-6-11(13(12)17)14(19)18-10-15(20)8-3-1-2-4-9-15/h5-7,20H,1-4,8-10H2,(H,18,19)
InChIKeyQABJVMATKPSRLG-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
3-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 107952528
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide
CID 111859437
2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029
2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 105381317
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
3-bromo-N-(1-cyanocycloheptyl)-2-fluorobenzamide
CID 106547595

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 106548037) is 3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide is O=C(NCC1(O)CCCCCC1)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is QABJVMATKPSRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c16-12-7-5-6-11(13(12)17)14(19)18-10-15(20)8-3-1-2-4-9-15/h5-7,20H,1-4,8-10H2,(H,18,19).
What are the key properties of 3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide has a molecular weight of 344.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide is sourced from PubChem (CID 106548037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).