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

C14H17BrFNO2 — CID 62522163

IUPAC5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1(CO)CCCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFNO2/c15-10-4-5-12(16)11(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)
InChIKeyQZYHQKRHQGCRBR-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.01
Rot. Bonds3

About 5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide

5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 62522163) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID62522163
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1(CO)CCCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFNO2/c15-10-4-5-12(16)11(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)
InChIKeyQZYHQKRHQGCRBR-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

Analyze 5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 103954078
5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62527413
5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide
CID 62517913
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 62519508
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
1-[[(5-bromo-2-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435679
5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62523774
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide
CID 119404297
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115883921
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883
3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081283

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide (CID 62522163) is 5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide is O=C(NC1(CO)CCCCC1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is QZYHQKRHQGCRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-10-4-5-12(16)11(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 5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
5-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 5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 62522163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).