3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide

C13H15ClFNO2 — CID 114631205

IUPAC3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFNO2/c1-13(2)10(6-11(13)17)16-12(18)7-3-4-9(15)8(14)5-7/h3-5,10-11,17H,6H2,1-2H3,(H,16,18)
InChIKeyJIVKRNUKMDVOTD-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.37
Rot. Bonds2

About 3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide

3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 114631205) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID114631205
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFNO2/c1-13(2)10(6-11(13)17)16-12(18)7-3-4-9(15)8(14)5-7/h3-5,10-11,17H,6H2,1-2H3,(H,16,18)
InChIKeyJIVKRNUKMDVOTD-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956529
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
CID 114631389
5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629364
(E)-3-(3-chloro-4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide
CID 114630878
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
3,5-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-iodobenzamide
CID 114630703
4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629766
3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628218
5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628200
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956514
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941
N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-oxopyran-3-carboxamide
CID 114631311

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (CID 114631205) is 3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is CC1(C)C(O)CC1NC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is JIVKRNUKMDVOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-13(2)10(6-11(13)17)16-12(18)7-3-4-9(15)8(14)5-7/h3-5,10-11,17H,6H2,1-2H3,(H,16,18).
What are the key properties of 3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide has a molecular weight of 271.72 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 114631205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).