4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide

C14H17BrFNO2 — CID 55081978

IUPAC4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1(CO)CCCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C14H17BrFNO2/c15-10-4-5-11(12(16)8-10)13(19)17-14(9-18)6-2-1-3-7-14/h4-5,8,18H,1-3,6-7,9H2,(H,17,19)
InChIKeyIFJNWNWCSHDKIT-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.01
Rot. Bonds3

About 4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide

4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 55081978) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID55081978
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1(CO)CCCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C14H17BrFNO2/c15-10-4-5-11(12(16)8-10)13(19)17-14(9-18)6-2-1-3-7-14/h4-5,8,18H,1-3,6-7,9H2,(H,17,19)
InChIKeyIFJNWNWCSHDKIT-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide (CID 55081978) is 4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide is O=C(NC1(CO)CCCCC1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is IFJNWNWCSHDKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-10-4-5-11(12(16)8-10)13(19)17-14(9-18)6-2-1-3-7-14/h4-5,8,18H,1-3,6-7,9H2,(H,17,19).
What are the key properties of 4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]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-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 55081978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).