3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide

C14H21FN2O — CID 43735676

IUPAC3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide
SMILESCCCC(C)CNc1cc(C(N)=O)cc(F)c1C
InChIInChI=1S/C14H21FN2O/c1-4-5-9(2)8-17-13-7-11(14(16)18)6-12(15)10(13)3/h6-7,9,17H,4-5,8H2,1-3H3,(H2,16,18)
InChIKeySTSDCHLSKRGLCL-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.08
Rot. Bonds6

About 3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide

3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide (PubChem CID 43735676) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide
PubChem CID43735676
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide
SMILESCCCC(C)CNc1cc(C(N)=O)cc(F)c1C
InChIInChI=1S/C14H21FN2O/c1-4-5-9(2)8-17-13-7-11(14(16)18)6-12(15)10(13)3/h6-7,9,17H,4-5,8H2,1-3H3,(H2,16,18)
InChIKeySTSDCHLSKRGLCL-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(aminomethyl)-3-methylbutyl]amino]-5-fluoro-4-methylbenzamide
CID 107441736
3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide
CID 102868880
3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide
CID 43735773
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735719
4-(2-methylpentylamino)benzamide
CID 43201058
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide
CID 43713949
3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115556847
3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide
CID 103928965
3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735711
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
3-[(5-bromothiophen-3-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735810

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide?
The IUPAC name of 3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide (CID 43735676) is 3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide is CCCC(C)CNc1cc(C(N)=O)cc(F)c1C.
What is the InChIKey of 3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide?
The InChIKey is STSDCHLSKRGLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-5-9(2)8-17-13-7-11(14(16)18)6-12(15)10(13)3/h6-7,9,17H,4-5,8H2,1-3H3,(H2,16,18).
What are the key properties of 3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide?
3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide has a molecular weight of 252.33 g/mol, XLogP of 3.08, 6 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-(2-methylpentylamino)benzamide is sourced from PubChem (CID 43735676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).