2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide

C12H15FN2O2 — CID 66004255

IUPAC2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESNc1cc(F)ccc1C(=O)NCC1CC(O)C1
InChIInChI=1S/C12H15FN2O2/c13-8-1-2-10(11(14)5-8)12(17)15-6-7-3-9(16)4-7/h1-2,5,7,9,16H,3-4,6,14H2,(H,15,17)
InChIKeyDVZBPNQDOGAUHQ-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.91
Rot. Bonds3

About 2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide

2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide (PubChem CID 66004255) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
PubChem CID66004255
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESNc1cc(F)ccc1C(=O)NCC1CC(O)C1
InChIInChI=1S/C12H15FN2O2/c13-8-1-2-10(11(14)5-8)12(17)15-6-7-3-9(16)4-7/h1-2,5,7,9,16H,3-4,6,14H2,(H,15,17)
InChIKeyDVZBPNQDOGAUHQ-UHFFFAOYSA-N
XLogP0.91
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 114145929
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
CID 63682899
3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118728
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004553
2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118792
5-fluoro-2-hydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103739156
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
2-amino-N-(3-cyclopentylpropyl)-4-fluorobenzamide
CID 106006269
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide (CID 66004255) is 2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide is Nc1cc(F)ccc1C(=O)NCC1CC(O)C1.
What is the InChIKey of 2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is DVZBPNQDOGAUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-8-1-2-10(11(14)5-8)12(17)15-6-7-3-9(16)4-7/h1-2,5,7,9,16H,3-4,6,14H2,(H,15,17).
What are the key properties of 2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 238.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 66004255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).