4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide

C17H17FN2O — CID 43633216

IUPAC4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide
SMILESNC(=O)c1ccc(NC2CC(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C17H17FN2O/c18-14-3-1-2-12(8-14)13-9-16(10-13)20-15-6-4-11(5-7-15)17(19)21/h1-8,13,16,20H,9-10H2,(H2,19,21)
InChIKeyNGEORTFRHJNHOZ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.28
Rot. Bonds4

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

4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide (PubChem CID 43633216) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide.

Molecular Properties

Compound Name4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide
PubChem CID43633216
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide
SMILESNC(=O)c1ccc(NC2CC(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C17H17FN2O/c18-14-3-1-2-12(8-14)13-9-16(10-13)20-15-6-4-11(5-7-15)17(19)21/h1-8,13,16,20H,9-10H2,(H2,19,21)
InChIKeyNGEORTFRHJNHOZ-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline
CID 43633782
2,6-dichloro-4-[[3-(3-fluorophenyl)cyclobutyl]amino]phenol
CID 107679299
2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile
CID 62317861
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
CID 43635571
4-[[3-(3-chlorophenyl)cyclobutyl]amino]benzoic acid
CID 43635176
3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633887
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline
CID 43633558
4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide
CID 43633223
4-bromo-N-[3-(3-fluorophenyl)cyclobutyl]-3-methylaniline
CID 43633146

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide?
The IUPAC name of 4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide (CID 43633216) is 4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide.
What is the SMILES notation for 4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide?
The canonical SMILES for 4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide is NC(=O)c1ccc(NC2CC(c3cccc(F)c3)C2)cc1.
What is the InChIKey of 4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide?
The InChIKey is NGEORTFRHJNHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-3-1-2-12(8-14)13-9-16(10-13)20-15-6-4-11(5-7-15)17(19)21/h1-8,13,16,20H,9-10H2,(H2,19,21).
What are the key properties of 4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide?
4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide has a molecular weight of 284.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide is sourced from PubChem (CID 43633216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).