3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide

C18H19FN2O — CID 119761185

IUPAC3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
SMILESNc1cccc(C(=O)NCC2(c3ccc(F)cc3)CCC2)c1
InChIInChI=1S/C18H19FN2O/c19-15-7-5-14(6-8-15)18(9-2-10-18)12-21-17(22)13-3-1-4-16(20)11-13/h1,3-8,11H,2,9-10,12,20H2,(H,21,22)
InChIKeyBGDMTINTWSNDKV-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.26
Rot. Bonds4

About 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide

3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide (PubChem CID 119761185) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
PubChem CID119761185
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
SMILESNc1cccc(C(=O)NCC2(c3ccc(F)cc3)CCC2)c1
InChIInChI=1S/C18H19FN2O/c19-15-7-5-14(6-8-15)18(9-2-10-18)12-21-17(22)13-3-1-4-16(20)11-13/h1,3-8,11H,2,9-10,12,20H2,(H,21,22)
InChIKeyBGDMTINTWSNDKV-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide;hydrochloride
CID 119761184
3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide
CID 119744824
3-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]benzamide
CID 119697137
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride
CID 119772767
4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
CID 47042246
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
3-amino-N-[(1-methylcyclohexyl)methyl]benzamide
CID 103813013
4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
CID 60571999

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide?
The IUPAC name of 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide (CID 119761185) is 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide.
What is the SMILES notation for 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide?
The canonical SMILES for 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide is Nc1cccc(C(=O)NCC2(c3ccc(F)cc3)CCC2)c1.
What is the InChIKey of 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide?
The InChIKey is BGDMTINTWSNDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-15-7-5-14(6-8-15)18(9-2-10-18)12-21-17(22)13-3-1-4-16(20)11-13/h1,3-8,11H,2,9-10,12,20H2,(H,21,22).
What are the key properties of 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide?
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide has a molecular weight of 298.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide is sourced from PubChem (CID 119761185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).