N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide

C13H17FN2O — CID 104860140

IUPACN-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CC(C)C2)ccc1F
InChIInChI=1S/C13H17FN2O/c1-8-5-11(6-8)16-10-3-4-12(14)13(7-10)15-9(2)17/h3-4,7-8,11,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyDSBSWNZEFCLEMF-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.99
Rot. Bonds3

About N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide

N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide (PubChem CID 104860140) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
PubChem CID104860140
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CC(C)C2)ccc1F
InChIInChI=1S/C13H17FN2O/c1-8-5-11(6-8)16-10-3-4-12(14)13(7-10)15-9(2)17/h3-4,7-8,11,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyDSBSWNZEFCLEMF-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
CID 79941370
3,4-difluoro-N-(3-methylcyclobutyl)aniline
CID 104860122
N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide
CID 65083100
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82727245
N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide
CID 112633780
N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide
CID 104870720
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824
N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide
CID 79911734
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
CID 64752342

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide (CID 104860140) is N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide is CC(=O)Nc1cc(NC2CC(C)C2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide?
The InChIKey is DSBSWNZEFCLEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-5-11(6-8)16-10-3-4-12(14)13(7-10)15-9(2)17/h3-4,7-8,11,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide?
N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide has a molecular weight of 236.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide is sourced from PubChem (CID 104860140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).