3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide

C14H21FN2O — CID 62118950

IUPAC3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide
SMILESCCCC(CC)NCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C14H21FN2O/c1-3-5-12(4-2)17-9-11-7-6-10(14(16)18)8-13(11)15/h6-8,12,17H,3-5,9H2,1-2H3,(H2,16,18)
InChIKeyWURQXKAPDMNCMD-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.59
Rot. Bonds7

About 3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide

3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide (PubChem CID 62118950) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide
PubChem CID62118950
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide
SMILESCCCC(CC)NCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C14H21FN2O/c1-3-5-12(4-2)17-9-11-7-6-10(14(16)18)8-13(11)15/h6-8,12,17H,3-5,9H2,1-2H3,(H2,16,18)
InChIKeyWURQXKAPDMNCMD-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 43499793
N-[(4-chloro-2-fluorophenyl)methyl]hexan-3-amine
CID 114842256
3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 65049143
2-[(4-carbamoyl-2-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 43468217
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
CID 43199111
3-chloro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 102664053
3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81348792
3-bromo-4-[(hexan-3-ylamino)methyl]benzoic acid
CID 103248438
3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63011266
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide
CID 43567385
3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide
CID 61474435

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide?
The IUPAC name of 3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide (CID 62118950) is 3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide is CCCC(CC)NCc1ccc(C(N)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide?
The InChIKey is WURQXKAPDMNCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-5-12(4-2)17-9-11-7-6-10(14(16)18)8-13(11)15/h6-8,12,17H,3-5,9H2,1-2H3,(H2,16,18).
What are the key properties of 3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide?
3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide has a molecular weight of 252.33 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide is sourced from PubChem (CID 62118950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).