N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide

C14H17BrFNO2 — CID 107677675

IUPACN-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCC1CCCCC1Br)c1ccc(O)cc1F
InChIInChI=1S/C14H17BrFNO2/c15-12-4-2-1-3-9(12)8-17-14(19)11-6-5-10(18)7-13(11)16/h5-7,9,12,18H,1-4,8H2,(H,17,19)
InChIKeyKSLTYYGHIHQGSA-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.21
Rot. Bonds3

About N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide

N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 107677675) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
PubChem CID107677675
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC NameN-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCC1CCCCC1Br)c1ccc(O)cc1F
InChIInChI=1S/C14H17BrFNO2/c15-12-4-2-1-3-9(12)8-17-14(19)11-6-5-10(18)7-13(11)16/h5-7,9,12,18H,1-4,8H2,(H,17,19)
InChIKeyKSLTYYGHIHQGSA-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide
CID 107726047
N-[(2-bromocyclopentyl)methyl]-2-fluoro-4-nitrobenzamide
CID 114313844
N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107016888
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114306984
N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide
CID 114312152
N-[(2-bromocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113275114
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 113355583
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727
N-(3-cyclopentylpropyl)-2-fluoro-4-hydroxybenzamide
CID 103940047
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
2-fluoro-4-hydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 107675740

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide (CID 107677675) is N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide is O=C(NCC1CCCCC1Br)c1ccc(O)cc1F.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is KSLTYYGHIHQGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-12-4-2-1-3-9(12)8-17-14(19)11-6-5-10(18)7-13(11)16/h5-7,9,12,18H,1-4,8H2,(H,17,19).
What are the key properties of N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide?
N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 330.20 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).