3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide

C14H17BrFNO2 — CID 113244888

IUPAC3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCCC1O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H17BrFNO2/c15-11-7-9(5-6-12(11)16)14(19)17-8-10-3-1-2-4-13(10)18/h5-7,10,13,18H,1-4,8H2,(H,17,19)
InChIKeyUOPWNTIWIORNOM-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.87
Rot. Bonds3

About 3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide

3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide (PubChem CID 113244888) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
PubChem CID113244888
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCCC1O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H17BrFNO2/c15-11-7-9(5-6-12(11)16)14(19)17-8-10-3-1-2-4-13(10)18/h5-7,10,13,18H,1-4,8H2,(H,17,19)
InChIKeyUOPWNTIWIORNOM-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide
CID 103706830
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
3-bromo-N-[(4-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 114147917
6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 115283344
3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide
CID 107951613
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103736731

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide (CID 113244888) is 3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1CCCCC1O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is UOPWNTIWIORNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-11-7-9(5-6-12(11)16)14(19)17-8-10-3-1-2-4-13(10)18/h5-7,10,13,18H,1-4,8H2,(H,17,19).
What are the key properties of 3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 330.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 113244888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).