3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide

C14H21FN2O2 — CID 65049143

IUPAC3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide
SMILESCOCC(NCc1ccc(C(N)=O)cc1F)C(C)C
InChIInChI=1S/C14H21FN2O2/c1-9(2)13(8-19-3)17-7-11-5-4-10(14(16)18)6-12(11)15/h4-6,9,13,17H,7-8H2,1-3H3,(H2,16,18)
InChIKeyMIDHULRJVJGXIS-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.69
Rot. Bonds7

About 3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide

3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide (PubChem CID 65049143) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide
PubChem CID65049143
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide
SMILESCOCC(NCc1ccc(C(N)=O)cc1F)C(C)C
InChIInChI=1S/C14H21FN2O2/c1-9(2)13(8-19-3)17-7-11-5-4-10(14(16)18)6-12(11)15/h4-6,9,13,17H,7-8H2,1-3H3,(H2,16,18)
InChIKeyMIDHULRJVJGXIS-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-carbamoyl-2-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 43468217
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 43199134
N-[(4-bromo-2-fluorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65049646
3-fluoro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 43499793
3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide
CID 62118950
4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 79249549
3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81348792
3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63011266
3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide
CID 61474435
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-fluorobenzamide
CID 81375322
4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide?
The IUPAC name of 3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide (CID 65049143) is 3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide is COCC(NCc1ccc(C(N)=O)cc1F)C(C)C.
What is the InChIKey of 3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide?
The InChIKey is MIDHULRJVJGXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(2)13(8-19-3)17-7-11-5-4-10(14(16)18)6-12(11)15/h4-6,9,13,17H,7-8H2,1-3H3,(H2,16,18).
What are the key properties of 3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide?
3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide has a molecular weight of 268.33 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 65049143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).