5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide

C15H21FN2O2 — CID 103296926

IUPAC5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)CC2(O)CCCC2)c1F
InChIInChI=1S/C15H21FN2O2/c1-10-7-11(17)8-12(13(10)16)14(19)18(2)9-15(20)5-3-4-6-15/h7-8,20H,3-6,9,17H2,1-2H3
InChIKeyBTRVQQCZLJHCMS-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.09
Rot. Bonds3

About 5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide

5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide (PubChem CID 103296926) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
PubChem CID103296926
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)CC2(O)CCCC2)c1F
InChIInChI=1S/C15H21FN2O2/c1-10-7-11(17)8-12(13(10)16)14(19)18(2)9-15(20)5-3-4-6-15/h7-8,20H,3-6,9,17H2,1-2H3
InChIKeyBTRVQQCZLJHCMS-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

5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
CID 103296416
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115759983
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 114953067
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 114946695
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide (CID 103296926) is 5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide is Cc1cc(N)cc(C(=O)N(C)CC2(O)CCCC2)c1F.
What is the InChIKey of 5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide?
The InChIKey is BTRVQQCZLJHCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-7-11(17)8-12(13(10)16)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 5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide?
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-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 5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 103296926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).