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

C14H19FN2O — CID 62070875

IUPAC3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NCC1CCCC1
InChIInChI=1S/C14H19FN2O/c1-9-12(15)6-11(14(16)18)7-13(9)17-8-10-4-2-3-5-10/h6-7,10,17H,2-5,8H2,1H3,(H2,16,18)
InChIKeyPFYDBVJAFDZPGY-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.84
Rot. Bonds4

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

3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide (PubChem CID 62070875) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
PubChem CID62070875
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NCC1CCCC1
InChIInChI=1S/C14H19FN2O/c1-9-12(15)6-11(14(16)18)7-13(9)17-8-10-4-2-3-5-10/h6-7,10,17H,2-5,8H2,1H3,(H2,16,18)
InChIKeyPFYDBVJAFDZPGY-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
CID 43735724
3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 54924427
3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 55732741
4-chloro-3-(cyclohexylmethylamino)benzamide
CID 43679468
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735719
3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide
CID 79535920
3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide
CID 60868211
3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide
CID 43735676
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-[[2-(aminomethyl)-3-methylbutyl]amino]-5-fluoro-4-methylbenzamide
CID 107441736
3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 60780936

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide (CID 62070875) is 3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide?
The InChIKey is PFYDBVJAFDZPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-12(15)6-11(14(16)18)7-13(9)17-8-10-4-2-3-5-10/h6-7,10,17H,2-5,8H2,1H3,(H2,16,18).
What are the key properties of 3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide?
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 62070875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).