N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide

C13H17FN2O2 — CID 118308174

IUPACN-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)N[C@H]1CCC[C@@H]1N
InChIInChI=1S/C13H17FN2O2/c1-18-11-7-2-4-8(14)12(11)13(17)16-10-6-3-5-9(10)15/h2,4,7,9-10H,3,5-6,15H2,1H3,(H,16,17)/t9-,10-/m0/s1
InChIKeyWBTGDWBLNDQPTC-UWVGGRQHSA-N
MW252.29 g/mol
LogP1.44
Rot. Bonds3

About N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide

N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide (PubChem CID 118308174) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide
PubChem CID118308174
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)N[C@H]1CCC[C@@H]1N
InChIInChI=1S/C13H17FN2O2/c1-18-11-7-2-4-8(14)12(11)13(17)16-10-6-3-5-9(10)15/h2,4,7,9-10H,3,5-6,15H2,1H3,(H,16,17)/t9-,10-/m0/s1
InChIKeyWBTGDWBLNDQPTC-UWVGGRQHSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
CID 119475803
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159
N-(2-aminocyclohexyl)-2-hydroxy-3-methoxybenzamide
CID 55149455
N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide
CID 63257686
2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 104826149
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide (CID 118308174) is N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)N[C@H]1CCC[C@@H]1N.
What is the InChIKey of N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is WBTGDWBLNDQPTC-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-11-7-2-4-8(14)12(11)13(17)16-10-6-3-5-9(10)15/h2,4,7,9-10H,3,5-6,15H2,1H3,(H,16,17)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide?
N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 252.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 118308174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).