3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide

C15H21FN2O2 — CID 114946695

IUPAC3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
SMILESCc1c(N)cc(C(=O)N(C)CC2(O)CCCC2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10-12(16)7-11(8-13(10)17)14(19)18(2)9-15(20)5-3-4-6-15/h7-8,20H,3-6,9,17H2,1-2H3
InChIKeySVQHPDGUZZUTSD-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.09
Rot. Bonds3

About 3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide

3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide (PubChem CID 114946695) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
PubChem CID114946695
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
SMILESCc1c(N)cc(C(=O)N(C)CC2(O)CCCC2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10-12(16)7-11(8-13(10)17)14(19)18(2)9-15(20)5-3-4-6-15/h7-8,20H,3-6,9,17H2,1-2H3
InChIKeySVQHPDGUZZUTSD-UHFFFAOYSA-N
XLogP2.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide
CID 60862359
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
CID 115760057
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115759983
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-fluoro-N,4-dimethylbenzamide
CID 61116787
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671
3-amino-5-fluoro-N,4-dimethyl-N-(3-methylsulfanylpropyl)benzamide
CID 114236428
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 114953067
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
CID 63727256
3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61116652
3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 60861699

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide (CID 114946695) is 3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide is Cc1c(N)cc(C(=O)N(C)CC2(O)CCCC2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is SVQHPDGUZZUTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-12(16)7-11(8-13(10)17)14(19)18(2)9-15(20)5-3-4-6-15/h7-8,20H,3-6,9,17H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide?
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 114946695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).