5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide

C12H13ClFNO2 — CID 66004553

IUPAC5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1CC(O)C1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFNO2/c13-8-1-2-11(14)10(5-8)12(17)15-6-7-3-9(16)4-7/h1-2,5,7,9,16H,3-4,6H2,(H,15,17)
InChIKeyRYYSGURYFPPFKU-UHFFFAOYSA-N
MW257.69 g/mol
LogP1.98
Rot. Bonds3

About 5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide

5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide (PubChem CID 66004553) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
PubChem CID66004553
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1CC(O)C1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFNO2/c13-8-1-2-11(14)10(5-8)12(17)15-6-7-3-9(16)4-7/h1-2,5,7,9,16H,3-4,6H2,(H,15,17)
InChIKeyRYYSGURYFPPFKU-UHFFFAOYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide (CID 66004553) is 5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide is O=C(NCC1CC(O)C1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is RYYSGURYFPPFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-8-1-2-11(14)10(5-8)12(17)15-6-7-3-9(16)4-7/h1-2,5,7,9,16H,3-4,6H2,(H,15,17).
What are the key properties of 5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 257.69 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 66004553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).