N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide

C14H19FN2O2 — CID 112633780

IUPACN-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CC(O)C2(C)C)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-8(18)16-11-6-9(4-5-10(11)15)17-12-7-13(19)14(12,2)3/h4-6,12-13,17,19H,7H2,1-3H3,(H,16,18)
InChIKeyNXGIBQYHOSNRES-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.36
Rot. Bonds3

About N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide

N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide (PubChem CID 112633780) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide
PubChem CID112633780
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CC(O)C2(C)C)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-8(18)16-11-6-9(4-5-10(11)15)17-12-7-13(19)14(12,2)3/h4-6,12-13,17,19H,7H2,1-3H3,(H,16,18)
InChIKeyNXGIBQYHOSNRES-UHFFFAOYSA-N
XLogP2.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide
CID 79911734
3-(3-bromo-4-fluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 115977942
3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633155
N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
CID 104860140
N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide
CID 65083100
N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
CID 79941370
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82727245
2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide
CID 112633806
3-(3-iodo-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633569
3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112633175
N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide
CID 62069998

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide (CID 112633780) is N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide is CC(=O)Nc1cc(NC2CC(O)C2(C)C)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide?
The InChIKey is NXGIBQYHOSNRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-8(18)16-11-6-9(4-5-10(11)15)17-12-7-13(19)14(12,2)3/h4-6,12-13,17,19H,7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide?
N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide has a molecular weight of 266.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide is sourced from PubChem (CID 112633780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).