4-fluoro-3-(3-methylbutan-2-ylamino)benzamide

C12H17FN2O — CID 43701145

IUPAC4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
SMILESCC(C)C(C)Nc1cc(C(N)=O)ccc1F
InChIInChI=1S/C12H17FN2O/c1-7(2)8(3)15-11-6-9(12(14)16)4-5-10(11)13/h4-8,15H,1-3H3,(H2,14,16)
InChIKeyDMOXUCYOMFTXIT-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.38
Rot. Bonds4

About 4-fluoro-3-(3-methylbutan-2-ylamino)benzamide

4-fluoro-3-(3-methylbutan-2-ylamino)benzamide (PubChem CID 43701145) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-fluoro-3-(3-methylbutan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
PubChem CID43701145
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
SMILESCC(C)C(C)Nc1cc(C(N)=O)ccc1F
InChIInChI=1S/C12H17FN2O/c1-7(2)8(3)15-11-6-9(12(14)16)4-5-10(11)13/h4-8,15H,1-3H3,(H2,14,16)
InChIKeyDMOXUCYOMFTXIT-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide
CID 70906211
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide
CID 107441566
4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide
CID 43701049
4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43701200
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
CID 43700812
4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63083935
3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide
CID 43701132
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzoic acid
CID 102868800
2,5-difluoro-N-(3-methylbutan-2-yl)aniline
CID 43192572
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide
CID 43783758

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-methylbutan-2-ylamino)benzamide?
The IUPAC name of 4-fluoro-3-(3-methylbutan-2-ylamino)benzamide (CID 43701145) is 4-fluoro-3-(3-methylbutan-2-ylamino)benzamide.
What is the SMILES notation for 4-fluoro-3-(3-methylbutan-2-ylamino)benzamide?
The canonical SMILES for 4-fluoro-3-(3-methylbutan-2-ylamino)benzamide is CC(C)C(C)Nc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-(3-methylbutan-2-ylamino)benzamide?
The InChIKey is DMOXUCYOMFTXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-7(2)8(3)15-11-6-9(12(14)16)4-5-10(11)13/h4-8,15H,1-3H3,(H2,14,16).
What are the key properties of 4-fluoro-3-(3-methylbutan-2-ylamino)benzamide?
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide has a molecular weight of 224.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-methylbutan-2-ylamino)benzamide is sourced from PubChem (CID 43701145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).