3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide

C16H25FN2O — CID 43735773

IUPAC3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide
SMILESCCC(C)CC(CC)Nc1cc(C(N)=O)cc(F)c1C
InChIInChI=1S/C16H25FN2O/c1-5-10(3)7-13(6-2)19-15-9-12(16(18)20)8-14(17)11(15)4/h8-10,13,19H,5-7H2,1-4H3,(H2,18,20)
InChIKeyOPOAIHVRSULKHO-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.86
Rot. Bonds7

About 3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide

3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide (PubChem CID 43735773) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide
PubChem CID43735773
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide
SMILESCCC(C)CC(CC)Nc1cc(C(N)=O)cc(F)c1C
InChIInChI=1S/C16H25FN2O/c1-5-10(3)7-13(6-2)19-15-9-12(16(18)20)8-14(17)11(15)4/h8-10,13,19H,5-7H2,1-4H3,(H2,18,20)
InChIKeyOPOAIHVRSULKHO-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide
CID 102868880
3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide
CID 43735676
3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide
CID 43713949
3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide
CID 43789078
3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43735801
3-[[2-(aminomethyl)-3-methylbutyl]amino]-5-fluoro-4-methylbenzamide
CID 107441736
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide
CID 79535920
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735719
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide
CID 103928965
3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 60780936

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide?
The IUPAC name of 3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide (CID 43735773) is 3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide is CCC(C)CC(CC)Nc1cc(C(N)=O)cc(F)c1C.
What is the InChIKey of 3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide?
The InChIKey is OPOAIHVRSULKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-10(3)7-13(6-2)19-15-9-12(16(18)20)8-14(17)11(15)4/h8-10,13,19H,5-7H2,1-4H3,(H2,18,20).
What are the key properties of 3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide?
3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide has a molecular weight of 280.39 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide is sourced from PubChem (CID 43735773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).