3-(cyclopentylamino)-5-fluoro-4-methylbenzamide

C13H17FN2O — CID 43735724

IUPAC3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC1CCCC1
InChIInChI=1S/C13H17FN2O/c1-8-11(14)6-9(13(15)17)7-12(8)16-10-4-2-3-5-10/h6-7,10,16H,2-5H2,1H3,(H2,15,17)
InChIKeyIHMSWHRYRKZJMS-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.59
Rot. Bonds3

About 3-(cyclopentylamino)-5-fluoro-4-methylbenzamide

3-(cyclopentylamino)-5-fluoro-4-methylbenzamide (PubChem CID 43735724) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-(cyclopentylamino)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
PubChem CID43735724
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC1CCCC1
InChIInChI=1S/C13H17FN2O/c1-8-11(14)6-9(13(15)17)7-12(8)16-10-4-2-3-5-10/h6-7,10,16H,2-5H2,1H3,(H2,15,17)
InChIKeyIHMSWHRYRKZJMS-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide
CID 79462509
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 54924427
3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide
CID 55902715
3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide
CID 60868211
3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115466263
3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 55732741
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide
CID 102868880
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide
CID 79535920
3-(7-aminoheptanoylamino)-5-fluoro-4-methylbenzamide
CID 43713943

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-(cyclopentylamino)-5-fluoro-4-methylbenzamide (CID 43735724) is 3-(cyclopentylamino)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-(cyclopentylamino)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-(cyclopentylamino)-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NC1CCCC1.
What is the InChIKey of 3-(cyclopentylamino)-5-fluoro-4-methylbenzamide?
The InChIKey is IHMSWHRYRKZJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-11(14)6-9(13(15)17)7-12(8)16-10-4-2-3-5-10/h6-7,10,16H,2-5H2,1H3,(H2,15,17).
What are the key properties of 3-(cyclopentylamino)-5-fluoro-4-methylbenzamide?
3-(cyclopentylamino)-5-fluoro-4-methylbenzamide has a molecular weight of 236.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 43735724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).