4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide

C14H17BrFNO2 — CID 64865903

IUPAC4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H17BrFNO2/c15-11-5-4-10(8-12(11)16)13(18)17-9-14(19)6-2-1-3-7-14/h4-5,8,19H,1-3,6-7,9H2,(H,17,18)
InChIKeyFCGWXFDZVAZZSR-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.01
Rot. Bonds3

About 4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide

4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide (PubChem CID 64865903) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
PubChem CID64865903
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H17BrFNO2/c15-11-5-4-10(8-12(11)16)13(18)17-9-14(19)6-2-1-3-7-14/h4-5,8,19H,1-3,6-7,9H2,(H,17,18)
InChIKeyFCGWXFDZVAZZSR-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039692
4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide
CID 103969816
4-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 115455941
4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 103830618
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
3-bromo-4-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107952526
3-bromo-4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484646
4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide
CID 111435956
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 59356128

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide (CID 64865903) is 4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1(O)CCCCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is FCGWXFDZVAZZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-11-5-4-10(8-12(11)16)13(18)17-9-14(19)6-2-1-3-7-14/h4-5,8,19H,1-3,6-7,9H2,(H,17,18).
What are the key properties of 4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide?
4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 330.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 64865903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).