N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide

C13H17FN2O2 — CID 104870720

IUPACN-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide
SMILESCOC1CC(Nc2cc(NC(C)=O)ccc2F)C1
InChIInChI=1S/C13H17FN2O2/c1-8(17)15-9-3-4-12(14)13(7-9)16-10-5-11(6-10)18-2/h3-4,7,10-11,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyVSXVQEDVGFNJGO-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.37
Rot. Bonds4

About N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide

N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide (PubChem CID 104870720) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide
PubChem CID104870720
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide
SMILESCOC1CC(Nc2cc(NC(C)=O)ccc2F)C1
InChIInChI=1S/C13H17FN2O2/c1-8(17)15-9-3-4-12(14)13(7-9)16-10-5-11(6-10)18-2/h3-4,7,10-11,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyVSXVQEDVGFNJGO-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870482
N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
CID 104860140
N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide
CID 104870299
4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline
CID 106821360
4-fluoro-N-(3-methoxycyclobutyl)-3-methylaniline
CID 104870459
2,3,4-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821253
N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
CID 64752342
N-[3-[(5,5-dimethylthian-3-yl)amino]-4-fluorophenyl]acetamide
CID 79956147
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
N-[4-fluoro-3-[(2-methylcyclopentyl)amino]phenyl]acetamide
CID 65044597
3,4,5-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821480
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide (CID 104870720) is N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide is COC1CC(Nc2cc(NC(C)=O)ccc2F)C1.
What is the InChIKey of N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide?
The InChIKey is VSXVQEDVGFNJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8(17)15-9-3-4-12(14)13(7-9)16-10-5-11(6-10)18-2/h3-4,7,10-11,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide?
N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide has a molecular weight of 252.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide is sourced from PubChem (CID 104870720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).