3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide

C12H15FN2O2 — CID 115185672

IUPAC3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide
SMILESNCC1(C(=O)NCc2cccc(F)c2)COC1
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-2-9(4-10)5-15-11(16)12(6-14)7-17-8-12/h1-4H,5-8,14H2,(H,15,16)
InChIKeyYPBSWYNPKAKWOL-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.42
Rot. Bonds4

About 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide

3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide (PubChem CID 115185672) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide
PubChem CID115185672
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide
SMILESNCC1(C(=O)NCc2cccc(F)c2)COC1
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-2-9(4-10)5-15-11(16)12(6-14)7-17-8-12/h1-4H,5-8,14H2,(H,15,16)
InChIKeyYPBSWYNPKAKWOL-UHFFFAOYSA-N
XLogP0.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120926728
4-ethyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 63127725
N-[(3-fluorophenyl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907192
1-carbamothioyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80592746
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134
N-[(3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127726
4-(aminomethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120918176
2,2-dichloro-N-[(3-fluorophenyl)methyl]-1-methylcyclopropane-1-carboxamide
CID 46447833
1-cyano-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80598717
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
methyl 1-[(3-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184452

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide (CID 115185672) is 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide is NCC1(C(=O)NCc2cccc(F)c2)COC1.
What is the InChIKey of 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide?
The InChIKey is YPBSWYNPKAKWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-3-1-2-9(4-10)5-15-11(16)12(6-14)7-17-8-12/h1-4H,5-8,14H2,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide?
3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide is sourced from PubChem (CID 115185672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).