3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

C13H15BrFNO2 — CID 55081283

IUPAC3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H15BrFNO2/c14-10-5-9(6-11(15)7-10)12(18)16-13(8-17)3-1-2-4-13/h5-7,17H,1-4,8H2,(H,16,18)
InChIKeyYGVWVALTWMPJKK-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.62
Rot. Bonds3

About 3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 55081283) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID55081283
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H15BrFNO2/c14-10-5-9(6-11(15)7-10)12(18)16-13(8-17)3-1-2-4-13/h5-7,17H,1-4,8H2,(H,16,18)
InChIKeyYGVWVALTWMPJKK-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 122569574
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 63186841
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 107974996
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
CID 107975022
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-fluorobenzamide
CID 114008312

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 55081283) is 3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is O=C(NC1(CO)CCCC1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is YGVWVALTWMPJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c14-10-5-9(6-11(15)7-10)12(18)16-13(8-17)3-1-2-4-13/h5-7,17H,1-4,8H2,(H,16,18).
What are the key properties of 3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 316.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 55081283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).