1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide

C12H15FN2O2 — CID 113311717

IUPAC1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(O)c(F)c2)CCC1
InChIInChI=1S/C12H15FN2O2/c13-9-6-8(2-3-10(9)16)15-11(17)12(7-14)4-1-5-12/h2-3,6,16H,1,4-5,7,14H2,(H,15,17)
InChIKeyGCKVPVGDGIJFTE-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.60
Rot. Bonds3

About 1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide (PubChem CID 113311717) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
PubChem CID113311717
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(O)c(F)c2)CCC1
InChIInChI=1S/C12H15FN2O2/c13-9-6-8(2-3-10(9)16)15-11(17)12(7-14)4-1-5-12/h2-3,6,16H,1,4-5,7,14H2,(H,15,17)
InChIKeyGCKVPVGDGIJFTE-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid
CID 115448230
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid
CID 115434908
N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide
CID 164882968
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80587920
1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide
CID 80588839
1-(aminomethyl)-N-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115183467
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595
N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide
CID 64782428

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide (CID 113311717) is 1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide is NCC1(C(=O)Nc2ccc(O)c(F)c2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is GCKVPVGDGIJFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-6-8(2-3-10(9)16)15-11(17)12(7-14)4-1-5-12/h2-3,6,16H,1,4-5,7,14H2,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 113311717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).