3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide

C14H17BrFNO2 — CID 107953230

IUPAC3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
SMILESO=C(NC1CCCCCC1O)c1cccc(Br)c1F
InChIInChI=1S/C14H17BrFNO2/c15-10-6-4-5-9(13(10)16)14(19)17-11-7-2-1-3-8-12(11)18/h4-6,11-12,18H,1-3,7-8H2,(H,17,19)
InChIKeyOBGXTODVOWMITH-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.01
Rot. Bonds2

About 3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide

3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide (PubChem CID 107953230) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
PubChem CID107953230
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
SMILESO=C(NC1CCCCCC1O)c1cccc(Br)c1F
InChIInChI=1S/C14H17BrFNO2/c15-10-6-4-5-9(13(10)16)14(19)17-11-7-2-1-3-8-12(11)18/h4-6,11-12,18H,1-3,7-8H2,(H,17,19)
InChIKeyOBGXTODVOWMITH-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-3-bromo-2-fluorobenzamide
CID 114020422
3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
CID 110021575
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
3-bromo-N-(2-carbamothioylcyclopentyl)-2-fluorobenzamide
CID 107951219
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide
CID 107956133
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
3-bromo-N-cyclopentyloxy-2-fluorobenzamide
CID 106544780
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide (CID 107953230) is 3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide is O=C(NC1CCCCCC1O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide?
The InChIKey is OBGXTODVOWMITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-10-6-4-5-9(13(10)16)14(19)17-11-7-2-1-3-8-12(11)18/h4-6,11-12,18H,1-3,7-8H2,(H,17,19).
What are the key properties of 3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide?
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide has a molecular weight of 330.20 g/mol, XLogP of 3.01, 2 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-(2-hydroxycycloheptyl)benzamide is sourced from PubChem (CID 107953230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).